1,3-benzothiazol-2-ylmethyl 6-(furan-2-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-(furan-2-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-(2-furyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C21H16N4O3S/c1-12-19-13(10-15(16-7-5-9-27-16)23-20(19)25(2)24-12)21(26)28-11-18-22-14-6-3-4-8-17(14)29-18/h3-10H,11H2,1-2H3