ethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C17H13F3N2O3S2 MolecularWeight: 414.42193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O3S2/c1-3-25-16(24)14(9(2)23)27-15-10(8-21)11(17(18,19)20)7-12(22-15)13-5-4-6-26-13/h4-7,14H,3H2,1-2H3