6-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[2-(cyanomethylsulfanyl)benzoyl]amino]hexanoic acid CAS Name: 6-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(cyanomethylsulfanyl)benzoyl]amino]hexanoic acid Traditional Name: 6-[[2-(cyanomethylthio)benzoyl]amino]hexanoic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)O)SCC#N

InChI

InChI=1S/C15H18N2O3S/c16-9-11-21-13-7-4-3-6-12(13)15(20)17-10-5-1-2-8-14(18)19/h3-4,6-7H,1-2,5,8,10-11H2,(H,17,20)(H,18,19)