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

Systemtic Name: methyl (1S,4R,5R)-4-chloranyl-3-oxidanylidene-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: methyl (1S,4R,5R)-4-chloro-3-oxo-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,4R,5R)-4-chloro-3-oxo-4-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5R)-4-chloro-3-oxo-4-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,4R,5R)-4-chloro-3-keto-4-(phenylthio)-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester Formula: C15H16ClNO3S MolecularWeight: 325.81044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO3S/c1-20-14(19)17-10-7-8-12(17)15(16,13(18)9-10)21-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15-/m0/s1