[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C33H28N2O6S MolecularWeight: 580.65022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C33H28N2O6S/c1-38-28-17-21(18-29(39-2)32(28)40-3)27-19-24(23-13-7-8-14-25(23)34-27)33(37)41-20-31(36)35-26-15-9-10-16-30(26)42-22-11-5-4-6-12-22/h4-19H,20H2,1-3H3,(H,35,36)