[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C20H22ClNO3S/c1-13-4-6-16(7-5-13)26-9-8-19(24)25-12-18(23)22-20-15(3)10-14(2)11-17(20)21/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23)