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

Systemtic Name: ethyl 2-[2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H20F3N3O4S2 MolecularWeight: 511.53711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C22H20F3N3O4S2/c1-2-31-20(30)18-12-6-3-4-8-15(12)34-19(18)28-17(29)11-33-21-26-13(14-7-5-9-32-14)10-16(27-21)22(23,24)25/h5,7,9-10H,2-4,6,8,11H2,1H3,(H,28,29)