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

Systemtic Name: ethyl 5-chloranyl-2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C22H19ClN4O4S/c1-4-31-22(30)18-17(14-8-6-5-7-9-14)19(23)32-20(18)25-16(28)11-27-21(29)15(10-24)12(2)13(3)26-27/h5-9H,4,11H2,1-3H3,(H,25,28)