3-azanyl-6-oxidanylidene-2-[(phenylmethyl)carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-6-oxidanylidene-2-[(phenylmethyl)carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-(benzylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-6-oxo-2-[oxo-[(phenylmethyl)amino]methyl]-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-(benzylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-2-(benzylcarbamoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c17-11-9-6-10(16(22)23)13(20)19-15(9)24-12(11)14(21)18-7-8-4-2-1-3-5-8/h1-6H,7,17H2,(H,18,21)(H,19,20)(H,22,23)