methyl 4-oxo-5H-thieno[3,2-c]pyridine-2-carboxylate - ≥97% , CAS No.1360965-52-1

CAS: 1360965-52-1 Cat. No.: M628557 Molecular Weight: 209.22 PubChem CID: 91828077

GRADE & PURITY ≥97%

Synonyms

4-Oxo-4,5-Dihydro-thieno[3,2-c]pyridine-2-carboxylic acid methyl ester | 1360965-52-1 | METHYL 4-OXO-5H-THIENO[3,2-C]PYRIDINE-2-CARBOXYLATE | MFCD22557091 | SB33030 | AS-79542 | D79384 | METHYL 4-OXO-4H,5H-THIENO[3,2-C]PYRIDINE-2-CARBOXYLATE | 4-Oxo-4,5-D

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Oxo-4, 5-Dihydro-thieno[3, 2-c]pyridine-2-carboxylic acid methyl ester | 1360965-52-1 | METHYL 4-OXO-5H-THIENO[3, 2-C]PYRIDINE-2-CARBOXYLATE | MFCD22557091 | SB33030 | AS-79542 | D79384 | METHYL 4-OXO-4H, 5H-THIENO[3, 2-C]PYRIDINE-2-CARBOXYLATE | 4-Oxo-4, 5-D

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC2=C(S1)C=CNC2=O
• IUPAC Name: methyl 4-oxo-5H-thieno[3,2-c]pyridine-2-carboxylate
• InChIKey: JYSNMCKDOVFOQC-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO3S/c1-13-9(12)7-4-5-6(14-7)2-3-10-8(5)11/h2-4H,1H3,(H,10,11)
• PubChem CID: 91828077
• Molecular Weight: 209.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Pyridinones Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Pyridinone - Pyridine - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y