[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-20-10-5-8(22-2)3-4-9(10)12(19)21-6-11(18)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,18)