2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-hydroxy-butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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