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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C28H26N2O6S/c1-33-23-13-17(14-24(34-2)27(23)35-3)22-15-19(18-9-5-6-10-20(18)29-22)28(32)36-16-26(31)30-21-11-7-8-12-25(21)37-4/h5-15H,16H2,1-4H3,(H,30,31)