tert-butyl (1R,6R)-5-(2-methylsulfanylethanoyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate

Systemtic Name: tert-butyl (1R,6R)-5-(2-methylsulfanylethanoyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Openeye Name: tert-butyl (1R,6R)-5-(2-methylsulfanylacetyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate CAS Name: (1R,6R)-5-[2-(methylthio)-1-oxoethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,6R)-5-(2-methylsulfanylacetyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Traditional Name: (1R,6R)-5-[2-(methylthio)acetyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid tert-butyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC=C(C1CC2)C(=O)CSC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CCC=C([C@H]1CC2)C(=O)CSC

InChI

InChI=1S/C16H25NO3S/c1-16(2,3)20-15(19)17-11-6-5-7-12(13(17)9-8-11)14(18)10-21-4/h7,11,13H,5-6,8-10H2,1-4H3/t11-,13-/m1/s1