tert-butyl (1R,4R,5R)-5-pyridin-2-ylsulfanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: tert-butyl (1R,4R,5R)-5-pyridin-2-ylsulfanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: tert-butyl (1R,4R,5R)-5-(2-pyridylsulfanyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1R,4R,5R)-5-(2-pyridinylthio)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4R,5R)-5-pyridin-2-ylsulfanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1R,4R,5R)-5-(2-pyridylthio)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1C2SC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2SC3=CC=CC=N3

InChI

InChI=1S/C15H20N2O2S/c1-15(2,3)19-14(18)17-9-10-8-11(17)13(10)20-12-6-4-5-7-16-12/h4-7,10-11,13H,8-9H2,1-3H3/t10-,11-,13-/m1/s1