[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H27NO3S/c1-14-6-8-19(9-7-14)27-11-10-20(24)26-18(5)22(25)23-21-16(3)12-15(2)13-17(21)4/h6-9,12-13,18H,10-11H2,1-5H3,(H,23,25)