[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCC(C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C16H18N2O3S/c17-9-10-22-14-8-4-3-7-13(14)18-15(19)11-21-16(20)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10-11H2,(H,18,19)