ethyl 2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-5-(2-thenoyl)-6-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C16H11F3N2O3S2 MolecularWeight: 400.39535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C16H11F3N2O3S2/c1-2-24-12(22)8-26-15-9(7-20)6-10(14(21-15)16(17,18)19)13(23)11-4-3-5-25-11/h3-6H,2,8H2,1H3