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

Systemtic Name: ethyl 5-[(3,4-diethoxyphenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(3,4-diethoxybenzoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3,4-diethoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(3,4-diethoxybenzoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC)OCC

InChI

InChI=1S/C26H25N3O6S/c1-4-33-19-13-12-16(14-20(19)34-5-2)23(30)27-24-21-18(15-36-24)22(26(32)35-6-3)28-29(25(21)31)17-10-8-7-9-11-17/h7-15H,4-6H2,1-3H3,(H,27,30)