methyl 2,2-dimethoxy-3-oxidanyl-3-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propanoate

Systemtic Name: methyl 2,2-dimethoxy-3-oxidanyl-3-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propanoate Openeye Name: methyl 3-hydroxy-2,2-dimethoxy-3-(3-phenylsulfanylquinuclidin-3-yl)propanoate CAS Name: 3-hydroxy-2,2-dimethoxy-3-[3-(phenylthio)-1-azabicyclo[2.2.2]octan-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethoxy-3-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propanoate Traditional Name: 3-hydroxy-2,2-dimethoxy-3-[3-(phenylthio)quinuclidin-3-yl]propionic acid methyl ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1(CN2CCC1CC2)SC3=CC=CC=C3)O)(OC)OC

Isomeric SMILES

COC(=O)C(C(C1(CN2CCC1CC2)SC3=CC=CC=C3)O)(OC)OC

InChI

InChI=1S/C19H27NO5S/c1-23-17(22)19(24-2,25-3)16(21)18(26-15-7-5-4-6-8-15)13-20-11-9-14(18)10-12-20/h4-8,14,16,21H,9-13H2,1-3H3