[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C32H24BrNO5S MolecularWeight: 614.50566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H24BrNO5S/c1-3-20-15-23(33)16-25-26(17-27(34-30(20)25)29-5-4-14-40-29)32(37)38-18-28(35)21-10-12-24(13-11-21)39-31(36)22-8-6-19(2)7-9-22/h4-17H,3,18H2,1-2H3