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

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

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

Isomeric SMILES

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

InChI

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