(5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

InChI

InChI=1S/C29H25N3O4S/c1-4-35-25-13-12-20(19(3)33)15-21(25)17-36-29(34)23-16-24(26-11-8-14-37-26)30-28-27(23)18(2)31-32(28)22-9-6-5-7-10-22/h5-16H,4,17H2,1-3H3