methyl (2R)-2-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(3,4-dimethylanilino)-2-oxo-ethyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C16H24N2O3S/c1-11-5-6-13(9-12(11)2)18-15(19)10-17-14(7-8-22-4)16(20)21-3/h5-6,9,14,17H,7-8,10H2,1-4H3,(H,18,19)/t14-/m1/s1