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

Systemtic Name: ethyl 2-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OCC

InChI

InChI=1S/C20H19F3N2O3S/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/h5-8,10H,3-4,9,12H2,1-2H3