[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C13H13F3N2O4S MolecularWeight: 350.31353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)OCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)OCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C13H13F3N2O4S/c14-13(15,16)8-17-12(21)18-10(19)6-22-11(20)7-23-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,17,18,19,21)