[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C28H20N2O4S MolecularWeight: 480.5344

Click to see the large picture

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=CO5

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C28H20N2O4S/c31-27(30-23-13-6-7-15-26(23)35-19-9-2-1-3-10-19)18-34-28(32)21-17-24(25-14-8-16-33-25)29-22-12-5-4-11-20(21)22/h1-17H,18H2,(H,30,31)