ethyl 3-(3,4-dimethylphenyl)-5-(ethoxycarbonylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(3,4-dimethylphenyl)-5-(ethoxycarbonylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3,4-dimethylphenyl)-5-(ethoxycarbonylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-5-(ethoxycarbonylamino)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethylphenyl)-5-(ethoxycarbonylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(carbethoxyamino)-3-(3,4-dimethylphenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)OCC)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)OCC)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H21N3O5S/c1-5-27-19(25)16-14-10-29-17(21-20(26)28-6-2)15(14)18(24)23(22-16)13-8-7-11(3)12(4)9-13/h7-10H,5-6H2,1-4H3,(H,21,26)