N-(1-azabicyclo[2.2.2]octan-3-yl)-7-fluoranyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-fluoranyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide Openeye Name: 7-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-N-quinuclidin-3-yl-1,2-benzothiazole-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-fluoro-6-[(3R)-3-methoxy-1-pyrrolidinyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide Traditional Name: 7-fluoro-6-[(3R)-3-methoxypyrrolidino]-N-quinuclidin-3-yl-1,2-benzothiazole-3-carboxamide Formula: C20H25FN4O2S MolecularWeight: 404.501503

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C1)C2=C(C3=C(C=C2)C(=NS3)C(=O)NC4CN5CCC4CC5)F

Isomeric SMILES

CO[C@@H]1CCN(C1)C2=C(C3=C(C=C2)C(=NS3)C(=O)NC4CN5CCC4CC5)F

InChI

InChI=1S/C20H25FN4O2S/c1-27-13-6-9-25(10-13)16-3-2-14-18(23-28-19(14)17(16)21)20(26)22-15-11-24-7-4-12(15)5-8-24/h2-3,12-13,15H,4-11H2,1H3,(H,22,26)/t13-,15?/m1/s1