(4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO3S/c1-14(2)19(22-20(23)18-8-6-5-7-15(18)3)21(24)25-13-16-9-11-17(26-4)12-10-16/h5-12,14,19H,13H2,1-4H3,(H,22,23)/t19-/m0/s1