ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C27H26N2O4S/c1-4-21(29-22-14-10-9-13-19(22)17(3)15-23(29)30)25(31)28-26-24(27(32)33-5-2)20(16-34-26)18-11-7-6-8-12-18/h6-16,21H,4-5H2,1-3H3,(H,28,31)