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

Systemtic Name: (3-methylphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: m-tolylmethyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (3-methylbenzyl) ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-14-4-3-5-15(12-14)13-25-20(24)18(10-11-26-2)22-19(23)16-6-8-17(21)9-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,23)/t18-/m0/s1