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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]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)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-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-tosyloxyphenyl)ethyl] ester Formula: C31H24BrNO6S2 MolecularWeight: 650.55936

Click to see the large picture

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)OS(=O)(=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)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H24BrNO6S2/c1-3-20-15-22(32)16-25-26(17-27(33-30(20)25)29-5-4-14-40-29)31(35)38-18-28(34)21-8-10-23(11-9-21)39-41(36,37)24-12-6-19(2)7-13-24/h4-17H,3,18H2,1-2H3