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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1-propan-2-yl-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-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N4O3S/c1-13(2)26-21-15(11-23-26)14(10-17(25-21)18-7-5-9-28-18)22(27)29-12-20-24-16-6-3-4-8-19(16)30-20/h3-11,13H,12H2,1-2H3