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

Systemtic Name: ethyl 5-(1-benzofuran-2-ylcarbonylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(benzofuran-2-carbonylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-benzofuranyl(oxo)methyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-benzofuran-2-carbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(benzofuran-2-carbonylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H19N3O5S MolecularWeight: 473.50046

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O5S/c1-3-32-25(31)21-17-13-34-23(26-22(29)19-12-15-6-4-5-7-18(15)33-19)20(17)24(30)28(27-21)16-10-8-14(2)9-11-16/h4-13H,3H2,1-2H3,(H,26,29)