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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2(C(=NC1(C(=O)O2)SC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCO[C@H]1C[C@]2(C(=N[C@@]1(C(=O)O2)SC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3S/c1-2-3-14-26-18-15-21(16-10-6-4-7-11-16)19(23)24-22(18,20(25)27-21)28-17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3/t18-,21+,22+/m0/s1