ethyl 3-(3,4-dimethylphenyl)-5-(2-methylpropanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(3,4-dimethylphenyl)-5-(2-methylpropanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3,4-dimethylphenyl)-5-(2-methylpropanoylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-5-[(2-methyl-1-oxopropyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethylphenyl)-5-(2-methylpropanoylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-5-(isobutyrylamino)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-6-28-21(27)17-15-10-29-19(22-18(25)11(2)3)16(15)20(26)24(23-17)14-8-7-12(4)13(5)9-14/h7-11H,6H2,1-5H3,(H,22,25)