2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-4-(methylthio)butyric acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C14H16N2O3S2/c1-20-8-6-11(14(18)19)16-13(17)10-4-2-3-5-12(10)21-9-7-15/h2-5,11H,6,8-9H2,1H3,(H,16,17)(H,18,19)