[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H23NO4S/c1-14-4-8-17(9-5-14)22-21(25)15(2)26-20(24)13-12-19(23)16-6-10-18(27-3)11-7-16/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m1/s1