[2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7-chloro-3,8-dimethyl-2-phenyl-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] 7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C31H22ClNO5S MolecularWeight: 556.02808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CS5)Cl

InChI

InChI=1S/C31H22ClNO5S/c1-18-24(32)15-14-23-27(19(2)28(33-29(18)23)21-7-4-3-5-8-21)31(36)37-17-25(34)20-10-12-22(13-11-20)38-30(35)26-9-6-16-39-26/h3-16H,17H2,1-2H3