[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C22H27NO5S/c1-4-26-19-11-8-17(14-20(19)27-5-2)23-21(24)15-28-22(25)12-13-29-18-9-6-16(3)7-10-18/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,24)