ethyl 5-(1-benzofuran-2-ylcarbonylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-(1-benzofuran-2-ylcarbonylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(benzofuran-2-carbonylamino)-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-benzofuranyl(oxo)methyl]amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-benzofuran-2-carbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(benzofuran-2-carbonylamino)-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H16FN3O5S MolecularWeight: 477.464343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H16FN3O5S/c1-2-32-24(31)20-16-12-34-22(26-21(29)18-11-13-5-3-4-6-17(13)33-18)19(16)23(30)28(27-20)15-9-7-14(25)8-10-15/h3-12H,2H2,1H3,(H,26,29)