ethyl 1-(4-methylphenyl)-6-oxidanylidene-4-(phenylsulfonyloxy)pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-6-oxidanylidene-4-(phenylsulfonyloxy)pyridazine-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyloxy)-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-(benzenesulfonyloxy)-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyloxy)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-besyloxy-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N2O6S/c1-3-27-20(24)19-17(28-29(25,26)16-7-5-4-6-8-16)13-18(23)22(21-19)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3