(1S,4R,7R)-7-butoxy-6-chloranyl-1-methyl-4-phenylsulfanyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1S,4R,7R)-7-butoxy-6-chloranyl-1-methyl-4-phenylsulfanyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1S,4R,7R)-7-butoxy-6-chloro-1-methyl-4-phenylsulfanyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one CAS Name: (1S,4R,7R)-7-butoxy-6-chloro-1-methyl-4-(phenylthio)-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one IUPAC Name: (1S,4R,7R)-7-butoxy-6-chloro-1-methyl-4-phenylsulfanyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1S,4R,7R)-7-butoxy-6-chloro-1-methyl-4-(phenylthio)-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2(C(=O)OC1(C(=N2)Cl)C)SC3=CC=CC=C3

Isomeric SMILES

CCCCO[C@@H]1C[C@]2(C(=O)O[C@@]1(C(=N2)Cl)C)SC3=CC=CC=C3

InChI

InChI=1S/C17H20ClNO3S/c1-3-4-10-21-13-11-17(23-12-8-6-5-7-9-12)15(20)22-16(13,2)14(18)19-17/h5-9,13H,3-4,10-11H2,1-2H3/t13-,16+,17-/m1/s1