ethyl 2-[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H22F3N3O3S2 MolecularWeight: 509.56429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4CC4)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4CC4)C(F)(F)F)C#N

InChI

InChI=1S/C23H22F3N3O3S2/c1-2-32-22(31)19-13-5-3-4-6-17(13)34-21(19)29-18(30)11-33-20-14(10-27)15(23(24,25)26)9-16(28-20)12-7-8-12/h9,12H,2-8,11H2,1H3,(H,29,30)