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

Systemtic Name: ethyl 5-(3,3-dimethylbutanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3,3-dimethylbutanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,3-dimethylbutanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3,3-dimethylbutanoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-6-29-21(28)18-15-12-30-19(23-16(26)11-22(3,4)5)17(15)20(27)25(24-18)14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H,23,26)