cyanomethyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: cyanomethyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: cyanomethyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)OCC#N)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C15H18N2O4S/c1-22-10-7-13(15(19)20-9-8-16)17-14(18)11-21-12-5-3-2-4-6-12/h2-6,13H,7,9-11H2,1H3,(H,17,18)/t13-/m0/s1