tert-butyl (6E)-6-(pyridin-2-ylsulfanylmethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (6E)-6-(pyridin-2-ylsulfanylmethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (6E)-6-(2-pyridylsulfanylmethylene)-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (6E)-6-[(2-pyridinylthio)methylidene]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6E)-6-(pyridin-2-ylsulfanylmethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (6E)-6-[(2-pyridylthio)methylene]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCCC1C(=CSC3=CC=CC=N3)C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCCC1/C(=C/SC3=CC=CC=N3)/C2

InChI

InChI=1S/C18H24N2O2S/c1-18(2,3)22-17(21)20-14-7-6-8-15(20)13(11-14)12-23-16-9-4-5-10-19-16/h4-5,9-10,12,14-15H,6-8,11H2,1-3H3/b13-12+