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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(3-phenylpropanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-5-(3-phenylpropanoylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[(1-oxo-3-phenylpropyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(3-phenylpropanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(hydrocinnamoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H23N3O4S/c1-3-32-25(31)22-19-15-33-23(26-20(29)14-11-17-7-5-4-6-8-17)21(19)24(30)28(27-22)18-12-9-16(2)10-13-18/h4-10,12-13,15H,3,11,14H2,1-2H3,(H,26,29)