ethyl 2-[2-(4-methylsulfonylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-(4-methylsulfonylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]oxyethanoate Openeye Name: ethyl 2-[2-(4-methylsulfonylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]oxyacetate CAS Name: 2-[[2-(4-methylsulfonyl-2-pyrimidinyl)-5-(trifluoromethyl)-3-pyrazolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylsulfonylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]oxyacetate Traditional Name: 2-[2-(4-mesylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid ethyl ester Formula: C13H13F3N4O5S MolecularWeight: 394.32633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC(=NN1C2=NC=CC(=N2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)COC1=CC(=NN1C2=NC=CC(=N2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C13H13F3N4O5S/c1-3-24-11(21)7-25-10-6-8(13(14,15)16)19-20(10)12-17-5-4-9(18-12)26(2,22)23/h4-6H,3,7H2,1-2H3