1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoate CAS Name: 3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanoate Traditional Name: 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)OCC3=NC4=CC=CC=C4S3)C)C(C)C

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)OCC3=NC4=CC=CC=C4S3)C)C(C)C

InChI

InChI=1S/C22H24N4O2S/c1-13(2)26-22-17(11-23-26)14(3)16(15(4)24-22)9-10-21(27)28-12-20-25-18-7-5-6-8-19(18)29-20/h5-8,11,13H,9-10,12H2,1-4H3