[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C21H28N2O3S/c1-2-3-6-16-9-11-17(12-10-16)21(25)26-15-20(24)23-18-7-4-5-8-19(18)27-14-13-22/h4-5,7-8,16-17H,2-3,6,9-12,14-15H2,1H3,(H,23,24)