ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-[(2-p-phenetylacetyl)amino]-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H22F3N3O5S MolecularWeight: 545.53019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C26H22F3N3O5S/c1-3-36-18-11-5-15(6-12-18)13-20(33)30-23-21-19(14-38-23)22(25(35)37-4-2)31-32(24(21)34)17-9-7-16(8-10-17)26(27,28)29/h5-12,14H,3-4,13H2,1-2H3,(H,30,33)