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

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)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-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)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-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C31H21Br2NO5S MolecularWeight: 679.37514

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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)Br

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)Br

InChI

InChI=1S/C31H21Br2NO5S/c1-2-18-14-22(33)15-24-25(16-26(34-29(18)24)28-4-3-13-40-28)31(37)38-17-27(35)19-7-11-23(12-8-19)39-30(36)20-5-9-21(32)10-6-20/h3-16H,2,17H2,1H3