4-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(cyanomethylsulfanyl)benzoyl]-methyl-amino]butanoic acid CAS Name: 4-[[[2-(cyanomethylthio)phenyl]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(cyanomethylsulfanyl)benzoyl]-methylamino]butanoic acid Traditional Name: 4-[[2-(cyanomethylthio)benzoyl]-methyl-amino]butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C14H16N2O3S/c1-16(9-4-7-13(17)18)14(19)11-5-2-3-6-12(11)20-10-8-15/h2-3,5-6H,4,7,9-10H2,1H3,(H,17,18)