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

Systemtic Name: 3-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 3-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 3-[[2-(cyanomethylthio)benzoyl]amino]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-9(8-12(16)17)15-13(18)10-4-2-3-5-11(10)19-7-6-14/h2-5,9H,7-8H2,1H3,(H,15,18)(H,16,17)