methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C13H14N2O4S/c1-19-13(18)10(8-16)15-12(17)9-4-2-3-5-11(9)20-7-6-14/h2-5,10,16H,7-8H2,1H3,(H,15,17)