| SpectraBase Spectrum ID |
IsiPbiLAU4v |
| Name |
4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde |
| CAS Registry Number |
141667-47-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21NO4S2 |
| InChI |
InChI=1S/C22H21NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,14,17-18H,13H2,1-2H3/t17-,18-,22-/m1/s1 |
| InChIKey |
XAQGHRWHENPWEV-JBYIUTFZSA-N |
| Molecular Weight |
427.533 g/mol |
| SMILES |
c1(S(N2C([C@]3(Sc4ccc(cc4)C)[C@](C[C@]2(C=C3)[H])(C=O)[H])=O)(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-00ea-9550000000-0deadfa1983886c3ba2b |
| Source of Spectrum |
J-57-4094-2 |
| Synonyms |
4-(4''-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde
4-[(4-methylphenyl)sulfanyl]-2-[(4-methylphenyl)sulfonyl]-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carbaldehyde |
| Wiley ID |
1380371 |
![4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde](/api/spectrum/IsiPbiLAU4v/structure.png?h=300&w=458 "4-(4\"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde")
