methyl (1S,4R,5R)-3-oxidanylidene-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: methyl (1S,4R,5R)-3-oxidanylidene-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: methyl (1S,4R,5R)-3-oxo-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,4R,5R)-3-oxo-4-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5R)-3-oxo-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,4R,5R)-3-keto-4-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester Formula: C15H17NO3S MolecularWeight: 291.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCC1C(C(=O)C2)SC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-19-15(18)16-10-7-8-12(16)14(13(17)9-10)20-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t10-,12+,14+/m0/s1