methyl 4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)benzoate

Systemtic Name: methyl 4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)benzoate Openeye Name: methyl 4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)benzoate CAS Name: 4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)benzoate Traditional Name: 4-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid methyl ester Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C16H10N2O4S/c1-22-16(21)9-4-2-8(3-5-9)11-7-23-15-12(11)13(19)10(6-17)14(20)18-15/h2-5,7H,1H3,(H2,18,19,20)