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

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1-propan-2-yl-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] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)C4=CC(=C(C=C4)SC)NC(=O)C

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)C4=CC(=C(C=C4)SC)NC(=O)C

InChI

InChI=1S/C25H24N4O5S/c1-14(2)29-24-18(12-26-29)17(11-19(28-24)22-6-5-9-33-22)25(32)34-13-21(31)16-7-8-23(35-4)20(10-16)27-15(3)30/h5-12,14H,13H2,1-4H3,(H,27,30)