[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H17F3N2O4S MolecularWeight: 378.36669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C15H17F3N2O4S/c1-14(2,3)20-13(23)19-11(21)8-24-12(22)9-4-6-10(7-5-9)25-15(16,17)18/h4-7H,8H2,1-3H3,(H2,19,20,21,23)