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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(3-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 6-bromo-2-(3-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-3,8-dimethyl-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-(3-chlorophenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-3,8-dimethyl-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C31H21BrClNO5S MolecularWeight: 634.92414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C31H21BrClNO5S/c1-17-13-21(32)15-24-27(18(2)29(34-28(17)24)20-5-3-6-22(33)14-20)31(37)38-16-25(35)19-8-10-23(11-9-19)39-30(36)26-7-4-12-40-26/h3-15H,16H2,1-2H3