[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C26H22N2O4S/c1-31-19-12-10-17(11-13-19)24-15-22(21-8-3-4-9-23(21)28-24)26(30)32-16-25(29)27-18-6-5-7-20(14-18)33-2/h3-15H,16H2,1-2H3,(H,27,29)