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

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-(3-phenylpropanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-(3-phenylpropanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-4-oxo-5-[(1-oxo-3-phenylpropyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-(3-phenylpropanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-5-(hydrocinnamoylamino)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H20ClN3O4S MolecularWeight: 481.9513

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O4S/c1-2-32-24(31)21-18-14-33-22(26-19(29)13-8-15-6-4-3-5-7-15)20(18)23(30)28(27-21)17-11-9-16(25)10-12-17/h3-7,9-12,14H,2,8,13H2,1H3,(H,26,29)