ethyl 1-(3-bromophenyl)-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyloxy-pyridazine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O7S MolecularWeight: 537.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O7S/c1-5-31-22(27)21-18(12-20(26)25(24-21)16-8-6-7-15(23)11-16)32-33(28,29)19-10-14(3)13(2)9-17(19)30-4/h6-12H,5H2,1-4H3