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

Systemtic Name: ethyl 2-[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 2-[[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C19H17F3N2O2S MolecularWeight: 394.41069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=CC(=N1)CC2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(=CC(=N1)CC2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C19H17F3N2O2S/c1-3-26-18(25)12(2)27-17-15(11-23)16(19(20,21)22)10-14(24-17)9-13-7-5-4-6-8-13/h4-8,10,12H,3,9H2,1-2H3