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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 6-bromo-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-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-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C31H22BrNO6S MolecularWeight: 616.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H22BrNO6S/c1-18-28(24-16-21(32)9-14-25(24)33-29(18)20-7-10-22(37-2)11-8-20)31(36)38-17-26(34)19-5-12-23(13-6-19)39-30(35)27-4-3-15-40-27/h3-16H,17H2,1-2H3