(1R,4S,8R)-8-butoxy-3-chloranyl-4-phenyl-1-phenylsulfanyl-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one

Systemtic Name: (1R,4S,8R)-8-butoxy-3-chloranyl-4-phenyl-1-phenylsulfanyl-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one Openeye Name: (1R,4S,8R)-8-butoxy-3-chloro-4-phenyl-1-phenylsulfanyl-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one CAS Name: (1R,4S,8R)-8-butoxy-3-chloro-4-phenyl-1-(phenylthio)-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one IUPAC Name: (1R,4S,8R)-8-butoxy-3-chloro-4-phenyl-1-phenylsulfanyl-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one Traditional Name: (1R,4S,8R)-8-butoxy-3-chloro-4-phenyl-1-(phenylthio)-5-oxa-2-azabicyclo[2.2.2]oct-2-en-6-one Formula: C22H22ClNO3S MolecularWeight: 415.93298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2(C(=O)OC1(C(=N2)Cl)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCO[C@@H]1C[C@]2(C(=O)O[C@@]1(C(=N2)Cl)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3S/c1-2-3-14-26-18-15-21(28-17-12-8-5-9-13-17)20(25)27-22(18,19(23)24-21)16-10-6-4-7-11-16/h4-13,18H,2-3,14-15H2,1H3/t18-,21-,22+/m1/s1