[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C30H21BrN2O3S MolecularWeight: 569.46834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C30H21BrN2O3S/c31-21-10-8-9-20(17-21)27-18-24(23-13-4-5-14-25(23)32-27)30(35)36-19-29(34)33-26-15-6-7-16-28(26)37-22-11-2-1-3-12-22/h1-18H,19H2,(H,33,34)