[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H17F3N2O3S MolecularWeight: 386.38869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C17H17F3N2O3S/c18-17(19,20)26-13-6-4-12(5-7-13)15(24)25-10-14(23)22-16(11-21)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,22,23)