ethyl 4-fluoranyl-3-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H15F4NO5S MolecularWeight: 457.395413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CN3C=C(C=CC3=O)C(F)(F)F

InChI

InChI=1S/C20H15F4NO5S/c1-2-29-19(28)18-12(17-13(21)4-3-5-14(17)31-18)10-30-16(27)9-25-8-11(20(22,23)24)6-7-15(25)26/h3-8H,2,9-10H2,1H3