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

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 2-(4-ethoxyphenoxy)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 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 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-ethoxyphenoxy)ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4S/c1-3-33-21-11-13-22(14-12-21)34-15-16-35-28(32)23-18-24(25-10-7-17-36-25)29-27-26(23)19(2)30-31(27)20-8-5-4-6-9-20/h4-14,17-18H,3,15-16H2,1-2H3