ethyl (2S)-2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: (2S)-2-[[3-cyano-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: (2S)-2-[[3-cyano-5-(2-thenoyl)-6-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C18H13F3N2O4S2 MolecularWeight: 442.43203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S2/c1-3-27-17(26)14(9(2)24)29-16-10(8-22)7-11(15(23-16)18(19,20)21)13(25)12-5-4-6-28-12/h4-7,14H,3H2,1-2H3/t14-/m0/s1