methyl 3-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-butyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(1-butyl-2-hydroxy-4-oxo-3-quinolinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-butyl-2-hydroxy-4-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(1-butyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-3-4-10-22-14-8-6-5-7-12(14)16(23)15(19(22)25)18(24)21-13-9-11-28-17(13)20(26)27-2/h5-9,11,25H,3-4,10H2,1-2H3,(H,21,24)