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

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-methyl-butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-9(2)12(14(18)19)16-13(17)10-5-3-4-6-11(10)20-8-7-15/h3-6,9,12H,8H2,1-2H3,(H,16,17)(H,18,19)