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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-5-(4-phenylbutanoylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[(1-oxo-4-phenylbutyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-(4-phenylbutanoylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-3-33-26(32)23-20-16-34-24(27-21(30)11-7-10-18-8-5-4-6-9-18)22(20)25(31)29(28-23)19-14-12-17(2)13-15-19/h4-6,8-9,12-16H,3,7,10-11H2,1-2H3,(H,27,30)