tert-butyl (1R,5S)-3-pyridin-4-ylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1R,5S)-3-pyridin-4-ylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1R,5S)-3-(4-pyridylsulfanyl)-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,5S)-3-(pyridin-4-ylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5S)-3-pyridin-4-ylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,5S)-3-(4-pyridylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-17(2,3)21-16(20)19-12-4-5-13(19)11-15(10-12)22-14-6-8-18-9-7-14/h6-9,12-13,15H,4-5,10-11H2,1-3H3/t12-,13+,15?