[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C31H24N2O3S MolecularWeight: 504.59886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24N2O3S/c1-37-29-14-8-7-13-27(29)33-30(34)20-36-31(35)25-19-28(32-26-12-6-5-11-24(25)26)23-17-15-22(16-18-23)21-9-3-2-4-10-21/h2-19H,20H2,1H3,(H,33,34)