ethyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H16F3N3O3S2 MolecularWeight: 491.50595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C22H16F3N3O3S2/c1-2-31-21(30)13-5-7-14(8-6-13)27-19(29)12-33-20-15(11-26)16(22(23,24)25)10-17(28-20)18-4-3-9-32-18/h3-10H,2,12H2,1H3,(H,27,29)