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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-cyclopentylethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c18-9-10-23-15-8-4-3-7-14(15)19-16(20)12-22-17(21)11-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,10-12H2,(H,19,20)