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

Systemtic Name: ethyl 5-[(4-butoxyphenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-butoxyphenyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-butoxybenzoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C26H25N3O5S/c1-3-5-15-34-19-13-11-17(12-14-19)23(30)27-24-21-20(16-35-24)22(26(32)33-4-2)28-29(25(21)31)18-9-7-6-8-10-18/h6-14,16H,3-5,15H2,1-2H3,(H,27,30)