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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3CC(=O)OC34CCCCC4 |
|---|---|
| IUPAC Name | ethyl 5,5-dimethyl-2-[(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate |
| InChIKey | FLRAHBUDZNPBKZ-UHFFFAOYSA-N |
| INCHI | 1S/C22H29NO6S/c1-4-27-20(26)17-13-11-21(2,3)28-12-15(13)30-19(17)23-18(25)14-10-16(24)29-22(14)8-6-5-7-9-22/h14H,4-12H2,1-3H3,(H,23,25) |
| Molecular Weight | 435.500 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrans |
| Alternative Parents | Thiophene carboxylic acids and derivatives N-arylamides Dicarboxylic acids and derivatives Pyrans Gamma butyrolactones Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyran - Thiophene carboxylic acid or derivatives - N-arylamide - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Tetrahydrofuran - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
| External Descriptors | Not available |
| Molecular Weight | 435.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 435.172 Da |
| Monoisotopic Mass | 435.172 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 704.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![ethyl 5,5-dimethyl-2-(2-oxo-1-oxaspiro[4.5]decane-4-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate , CAS No.442552-84-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)