[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-phenylsulfanylbutanoate

Systemtic Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-phenylsulfanylbutanoate Openeye Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-phenylsulfanylbutanoate CAS Name: (2R)-2-(phenylthio)butanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-phenylsulfanylbutanoate Traditional Name: (2R)-2-(phenylthio)butyric acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C)SC3=CC=CC=C3

InChI

InChI=1S/C18H25NO2S/c1-3-17(22-16-7-5-4-6-8-16)18(20)21-15-11-13-9-10-14(12-15)19(13)2/h4-8,13-15,17H,3,9-12H2,1-2H3/t13-,14+,15?,17-/m1/s1