[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyclohexylbutanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyclohexylbutanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-cyclohexylbutanoate CAS Name: 4-cyclohexylbutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate Traditional Name: 4-cyclohexylbutyric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCC(CC1)CCCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H26N2O3S/c21-13-14-26-18-11-5-4-10-17(18)22-19(23)15-25-20(24)12-6-9-16-7-2-1-3-8-16/h4-5,10-11,16H,1-3,6-9,12,14-15H2,(H,22,23)