[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2O4S/c18-17(19,20)27-13-8-6-11(7-9-13)15(24)26-10-14(23)22-16(25)21-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,21,22,23,25)