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

Systemtic Name: ethyl 5-(3,3-diphenylpropanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3,3-diphenylpropanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[(1-oxo-3,3-diphenylpropyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,3-diphenylpropanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3,3-diphenylpropanoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H27N3O4S/c1-3-38-31(37)28-25-19-39-29(27(25)30(36)34(33-28)23-16-14-20(2)15-17-23)32-26(35)18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19,24H,3,18H2,1-2H3,(H,32,35)