1-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[2-(cyanomethylsulfanyl)benzoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-(cyanomethylsulfanyl)benzoyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[2-(cyanomethylthio)benzoyl]amino]cyclopentanecarboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C15H16N2O3S/c16-9-10-21-12-6-2-1-5-11(12)13(18)17-15(14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-8,10H2,(H,17,18)(H,19,20)