ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-p-phenetyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C19H17F3N2O3S MolecularWeight: 410.41009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OCC

InChI

InChI=1S/C19H17F3N2O3S/c1-3-26-13-7-5-12(6-8-13)16-9-15(19(20,21)22)14(10-23)18(24-16)28-11-17(25)27-4-2/h5-9H,3-4,11H2,1-2H3