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

Systemtic Name: 4-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 4-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[2-(cyanomethylthio)benzoyl]amino]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)SCC#N

InChI

InChI=1S/C13H14N2O3S/c14-7-9-19-11-5-2-1-4-10(11)13(18)15-8-3-6-12(16)17/h1-2,4-5H,3,6,8-9H2,(H,15,18)(H,16,17)