[2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C31H21BrClNO6S MolecularWeight: 650.92354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H21BrClNO6S/c1-17-28(33)24(32)14-22-23(15-25(34-29(17)22)27-7-4-12-41-27)31(37)39-16-26(35)18-8-10-20(11-9-18)40-30(36)19-5-3-6-21(13-19)38-2/h3-15H,16H2,1-2H3