3-azanyl-2-(4-methylphenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-2-(4-methylphenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-2-[(4-methylphenyl)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-6-keto-2-p-toluoyl-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N

InChI

InChI=1S/C16H12N2O4S/c1-7-2-4-8(5-3-7)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)23-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)