[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 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 [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 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 [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

InChI

InChI=1S/C29H25N3O3S/c1-4-20-12-14-21(15-13-20)27(33)19(3)35-29(34)23-17-24(25-11-8-16-36-25)30-28-26(23)18(2)31-32(28)22-9-6-5-7-10-22/h5-17,19H,4H2,1-3H3