ethyl 2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C23H22N4O4S/c1-5-31-23(30)19-14(3)20(16-9-7-6-8-10-16)32-21(19)25-18(28)12-27-22(29)17(11-24)13(2)15(4)26-27/h6-10H,5,12H2,1-4H3,(H,25,28)