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

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3,3-dimethyl-butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-15(2,3)12(14(19)20)17-13(18)10-6-4-5-7-11(10)21-9-8-16/h4-7,12H,9H2,1-3H3,(H,17,18)(H,19,20)