[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c19-11-12-24-16-8-4-3-7-15(16)20-17(21)13-23-18(22)10-9-14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-10,12-13H2,(H,20,21)