dimethyl 3-methylsulfanyl-4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 3-methylsulfanyl-4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 3-(methylthio)-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-keto-3-(methylthio)-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C(NN2C3=CC=CC=C3)SC)C1=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C(NN2C3=CC=CC=C3)SC)C1=O)C(=O)OC

InChI

InChI=1S/C17H15N3O5S/c1-24-16(22)10-12(17(23)25-2)18-14-11(13(10)21)15(26-3)19-20(14)9-7-5-4-6-8-9/h4-8,19H,1-3H3