1,3-benzothiazol-2-ylmethyl 6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H16N4O2S2 MolecularWeight: 420.50734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N4O2S2/c1-13-9-15(16-10-22-25(20(16)23-13)11-14-5-4-8-28-14)21(26)27-12-19-24-17-6-2-3-7-18(17)29-19/h2-10H,11-12H2,1H3