methyl 3-ethyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate

Systemtic Name: methyl 3-ethyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate Openeye Name: methyl 3-ethyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate CAS Name: 3-ethyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 3-ethyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate Traditional Name: 3-ethyl-4-(6-keto-1H-pyridazin-3-yl)-5-mesyl-benzoic acid methyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(=O)OC)S(=O)(=O)C)C2=NNC(=O)C=C2

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(=O)OC)S(=O)(=O)C)C2=NNC(=O)C=C2

InChI

InChI=1S/C15H16N2O5S/c1-4-9-7-10(15(19)22-2)8-12(23(3,20)21)14(9)11-5-6-13(18)17-16-11/h5-8H,4H2,1-3H3,(H,17,18)