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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-(piperonyloylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H16FN3O6S MolecularWeight: 481.453043

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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)F

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)F

InChI

InChI=1S/C23H16FN3O6S/c1-2-31-23(30)19-15-10-34-21(25-20(28)12-3-8-16-17(9-12)33-11-32-16)18(15)22(29)27(26-19)14-6-4-13(24)5-7-14/h3-10H,2,11H2,1H3,(H,25,28)