[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H13F3N2O5S MolecularWeight: 402.34503

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C16H13F3N2O5S/c17-16(18,19)27-12-5-3-10(4-6-12)14(23)26-9-13(22)21-15(24)20-8-11-2-1-7-25-11/h1-7H,8-9H2,(H2,20,21,22,24)