diethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanedioate CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]malonic acid diethyl ester Formula: C18H15F3N2O4S2 MolecularWeight: 444.44791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

InChI

InChI=1S/C18H15F3N2O4S2/c1-3-26-16(24)14(17(25)27-4-2)29-15-10(9-22)11(18(19,20)21)8-12(23-15)13-6-5-7-28-13/h5-8,14H,3-4H2,1-2H3