[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19F3N2O4S MolecularWeight: 392.39327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O4S/c1-10(2)7-8-20-15(24)21-13(22)9-25-14(23)11-3-5-12(6-4-11)26-16(17,18)19/h3-6,10H,7-9H2,1-2H3,(H2,20,21,22,24)