[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)SC)NC(=O)C)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)SC)NC(=O)C)C

InChI

InChI=1S/C26H24N4O4S/c1-15-24-19(13-20(17-8-6-5-7-9-17)28-25(24)30(3)29-15)26(33)34-14-22(32)18-10-11-23(35-4)21(12-18)27-16(2)31/h5-13H,14H2,1-4H3,(H,27,31)