ethyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

InChI

InChI=1S/C20H19F3N2O4S/c1-5-29-19(26)11(2)30-18-13(10-24)14(20(21,22)23)9-15(25-18)12-6-7-16(27-3)17(8-12)28-4/h6-9,11H,5H2,1-4H3