3-azanyl-2-[(2-methylphenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 3-azanyl-2-[(2-methylphenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-(o-tolylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[(2-methylanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-[(2-methylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-6-keto-2-(o-tolylcarbamoyl)-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

InChI

InChI=1S/C16H13N3O4S/c1-7-4-2-3-5-10(7)18-14(21)12-11(17)8-6-9(16(22)23)13(20)19-15(8)24-12/h2-6H,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)/p-1