methyl 3-(5-methylsulfonyl-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)propanoate

Systemtic Name: methyl 3-(5-methylsulfonyl-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)propanoate Openeye Name: methyl 3-(5-methylsulfonyl-6-oxo-3,4-diphenyl-pyridazin-1-yl)propanoate CAS Name: 3-(5-methylsulfonyl-6-oxo-3,4-diphenyl-1-pyridazinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(5-methylsulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl)propanoate Traditional Name: 3-(6-keto-5-mesyl-3,4-diphenyl-pyridazin-1-yl)propionic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-28-17(24)13-14-23-21(25)20(29(2,26)27)18(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3