ethyl (1S,3S,5R,6S)-3-oxidanyl-6-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl (1S,3S,5R,6S)-3-oxidanyl-6-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl (1S,3S,5R,6S)-3-hydroxy-6-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,3S,5R,6S)-3-hydroxy-6-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3S,5R,6S)-3-hydroxy-6-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,3S,5R,6S)-3-hydroxy-6-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CC(CC1C(C2)SC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-2-20-16(19)17-11-8-12(18)10-14(17)15(9-11)21-13-6-4-3-5-7-13/h3-7,11-12,14-15,18H,2,8-10H2,1H3/t11-,12-,14+,15-/m0/s1