dimethyl 1-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 1-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 3-methylsulfanyl-4-oxo-1-(p-tolylsulfonyl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-(methylthio)-4-oxo-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-oxo-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-keto-3-(methylthio)-1-tosyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=C(C(=O)C3=C(N2)SC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=C(C(=O)C3=C(N2)SC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17N3O7S2/c1-9-5-7-10(8-6-9)30(25,26)21-15-12(16(20-21)29-4)14(22)11(17(23)27-2)13(19-15)18(24)28-3/h5-8,20H,1-4H3