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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[(1-oxo-4-phenylbutyl)amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-(4-phenylbutanoylamino)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)CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-2-32-25(31)22-19-16-33-23(26-20(29)15-9-12-17-10-5-3-6-11-17)21(19)24(30)28(27-22)18-13-7-4-8-14-18/h3-8,10-11,13-14,16H,2,9,12,15H2,1H3,(H,26,29)