2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-2-cyclopropyl-propanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-2-cyclopropylpropanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-2-cyclopropyl-propionic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C15H16N2O3S/c1-15(14(19)20,10-6-7-10)17-13(18)11-4-2-3-5-12(11)21-9-8-16/h2-5,10H,6-7,9H2,1H3,(H,17,18)(H,19,20)