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

Systemtic Name: ethyl 2-[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(4-allyloxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-allyloxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC=C)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC=C)C(F)(F)F)C#N

InChI

InChI=1S/C20H17F3N2O3S/c1-3-9-28-14-7-5-13(6-8-14)17-10-16(20(21,22)23)15(11-24)19(25-17)29-12-18(26)27-4-2/h3,5-8,10H,1,4,9,12H2,2H3