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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-4-keto-3-phenyl-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)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4S/c1-5-33-25(32)21-19-15-34-23(20(19)24(31)29(28-21)18-9-7-6-8-10-18)27-22(30)16-11-13-17(14-12-16)26(2,3)4/h6-15H,5H2,1-4H3,(H,27,30)