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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-(piperonyloylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C24H19N3O6S/c1-3-31-24(30)20-16-11-34-22(25-21(28)14-6-9-17-18(10-14)33-12-32-17)19(16)23(29)27(26-20)15-7-4-13(2)5-8-15/h4-11H,3,12H2,1-2H3,(H,25,28)