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

Systemtic Name: methyl 3-azanyl-2-(4-methylphenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate hydrochloride Openeye Name: methyl 3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate hydrochloride CAS Name: 3-amino-2-[(4-methylphenyl)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate hydrochloride Traditional Name: 3-amino-6-keto-2-p-toluoyl-7H-thieno[2,3-b]pyridine-5-carboxylic acid methyl ester hydrochloride Formula: C17H15ClN2O4S MolecularWeight: 378.83

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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)OC)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S.ClH/c1-8-3-5-9(6-4-8)13(20)14-12(18)10-7-11(17(22)23-2)15(21)19-16(10)24-14;/h3-7H,18H2,1-2H3,(H,19,21);1H