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

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-15-4-3-5-18(12-15)20(24)23-19(10-11-27-2)21(25)26-14-17-8-6-16(13-22)7-9-17/h3-9,12,19H,10-11,14H2,1-2H3,(H,23,24)/t19-/m1/s1