methyl 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: methyl 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate CAS Name: 2-[[2-ethyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate Traditional Name: 2-[[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetic acid methyl ester Formula: C12H12F3N3O2S MolecularWeight: 319.30279

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CCN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O2S/c1-3-18-5-7-8(12(13,14)15)4-9(16-11(7)17-18)21-6-10(19)20-2/h4-5H,3,6H2,1-2H3