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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-2-10(13(17)18)15-12(16)9-5-3-4-6-11(9)19-8-7-14/h3-6,10H,2,8H2,1H3,(H,15,16)(H,17,18)