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

Systemtic Name: ethyl 3-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 3-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[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)CCSC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

InChI

InChI=1S/C20H19F3N2O4S/c1-4-29-18(26)7-8-30-19-13(11-24)14(20(21,22)23)10-15(25-19)12-5-6-16(27-2)17(9-12)28-3/h5-6,9-10H,4,7-8H2,1-3H3