[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21N3O3S/c1-12(2)23-19-15(10-21-23)9-17(13(3)22-19)20(25)26-11-18(24)14-5-7-16(27-4)8-6-14/h5-10,12H,11H2,1-4H3