ethyl 5,7-dimethyl-3-(4-methylsulfonylphenyl)-4-oxidanylidene-phthalazine-6-carboxylate

Systemtic Name: ethyl 5,7-dimethyl-3-(4-methylsulfonylphenyl)-4-oxidanylidene-phthalazine-6-carboxylate Openeye Name: ethyl 5,7-dimethyl-3-(4-methylsulfonylphenyl)-4-oxo-phthalazine-6-carboxylate CAS Name: 5,7-dimethyl-3-(4-methylsulfonylphenyl)-4-oxo-6-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,7-dimethyl-3-(4-methylsulfonylphenyl)-4-oxophthalazine-6-carboxylate Traditional Name: 4-keto-3-(4-mesylphenyl)-5,7-dimethyl-phthalazine-6-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=NN(C(=O)C2=C1C)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=NN(C(=O)C2=C1C)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H20N2O5S/c1-5-27-20(24)17-12(2)10-14-11-21-22(19(23)18(14)13(17)3)15-6-8-16(9-7-15)28(4,25)26/h6-11H,5H2,1-4H3