ethyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H19F3N4O3S2 MolecularWeight: 484.51507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C20H19F3N4O3S2/c1-2-30-19(29)27-7-5-26(6-8-27)17(28)12-32-18-13(11-24)14(20(21,22)23)10-15(25-18)16-4-3-9-31-16/h3-4,9-10H,2,5-8,12H2,1H3