tert-butyl (1R,5S)-3-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1R,5S)-3-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1R,5S)-3-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,5S)-3-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5S)-3-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,5S)-3-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1CC(C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)SC3=CC=CC=C3

InChI

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