1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-2-(1,2-thiazol-5-yl)ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-2-(1,2-thiazol-5-yl)ethanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-isothiazol-5-yl-2-phenyl-acetate CAS Name: 2-hydroxy-2-(5-isothiazolyl)-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate Traditional Name: 2-hydroxy-2-isothiazol-5-yl-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=NS4)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=NS4)O

InChI

InChI=1S/C18H20N2O3S/c21-17(23-15-12-20-10-7-13(15)8-11-20)18(22,16-6-9-19-24-16)14-4-2-1-3-5-14/h1-6,9,13,15,22H,7-8,10-12H2