[2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methoxy]phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C32H23BrClNO5S MolecularWeight: 648.95072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C32H23BrClNO5S/c1-3-19-15-22(33)16-25-28(18(2)29(35-30(19)25)21-6-10-23(34)11-7-21)32(38)39-17-26(36)20-8-12-24(13-9-20)40-31(37)27-5-4-14-41-27/h4-16H,3,17H2,1-2H3