2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]hexanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]hexanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]hexanoic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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