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

Systemtic Name: ethyl 3-(4-methylphenyl)-5-(2-methylpropanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2-methylpropanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-methyl-1-oxopropyl)amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-5-(2-methylpropanoylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(isobutyrylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-5-27-20(26)16-14-10-28-18(21-17(24)11(2)3)15(14)19(25)23(22-16)13-8-6-12(4)7-9-13/h6-11H,5H2,1-4H3,(H,21,24)