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

Systemtic Name: ethyl 5-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-ethoxy-4-oxo-butanoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(4-ethoxy-1,4-dioxobutyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-ethoxy-4-keto-butanoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O6S/c1-3-29-16(26)11-10-15(25)22-19-17-14(12-31-19)18(21(28)30-4-2)23-24(20(17)27)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,25)