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

Systemtic Name: ethyl 4-[2-[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H17F3N4O3S MolecularWeight: 486.46629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17F3N4O3S/c1-2-33-22(32)15-3-5-16(6-4-15)29-20(31)13-34-21-17(12-27)18(23(24,25)26)11-19(30-21)14-7-9-28-10-8-14/h3-11H,2,13H2,1H3,(H,29,31)