(4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S/c1-28-12-11-19(23-20(24)15-26-18-5-3-2-4-6-18)21(25)27-14-17-9-7-16(13-22)8-10-17/h2-10,19H,11-12,14-15H2,1H3,(H,23,24)/t19-/m1/s1