[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C29H21N3O3S MolecularWeight: 491.56034

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O3S/c33-28(32-25-14-6-7-15-27(25)36-21-10-2-1-3-11-21)19-35-29(34)23-17-26(20-9-8-16-30-18-20)31-24-13-5-4-12-22(23)24/h1-18H,19H2,(H,32,33)