[2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)-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-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7,8-dimethyl-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C38H28BrNO6S MolecularWeight: 706.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CS6)Br

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CS6)Br

InChI

InChI=1S/C38H28BrNO6S/c1-23-24(2)36-30(19-32(23)39)31(20-33(40-36)26-10-14-28(15-11-26)44-21-25-7-4-3-5-8-25)37(42)45-22-34(41)27-12-16-29(17-13-27)46-38(43)35-9-6-18-47-35/h3-20H,21-22H2,1-2H3