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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-14-4-3-5-16(12-14)19(23)22-18(10-11-26-2)20(24)25-13-15-6-8-17(21)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,23)/t18-/m1/s1