ethyl 5-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(5-bromo-2-furoyl)amino]-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H16BrN3O5S MolecularWeight: 502.33784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(O3)Br)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(O3)Br)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H16BrN3O5S/c1-3-29-21(28)17-13-10-31-19(23-18(26)14-8-9-15(22)30-14)16(13)20(27)25(24-17)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,23,26)