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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)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 (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)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 (4-carbomethoxybenzyl) ester Formula: C27H21N3O4S MolecularWeight: 483.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c1-17-24-21(27(32)34-16-18-10-12-19(13-11-18)26(31)33-2)15-22(23-9-6-14-35-23)28-25(24)30(29-17)20-7-4-3-5-8-20/h3-15H,16H2,1-2H3