methyl 5-[(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(1-methyl-4-oxo-quinoline-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(1-methyl-4-oxo-3-quinolinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-keto-1-methyl-quinoline-3-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C21H16N2O4S/c1-23-11-15(19(24)14-5-3-4-6-16(14)23)20(25)22-13-7-8-17-12(9-13)10-18(28-17)21(26)27-2/h3-11H,1-2H3,(H,22,25)