| SpectraBase Spectrum ID |
5eDk7mP25au |
| Name |
2-Propenoic acid, 3-[octahydro-3a-(methoxymethyl)-2-methyl-3,6-dioxo-1-(phenylthio)-1H-isoindol-4-yl]-, ethyl ester, [1.alpha.,3a.alpha.,4.beta.(E),7a.alpha.]-(.+-.)- |
| CAS Registry Number |
117897-44-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27NO5S |
| InChI |
InChI=1S/C22H27NO5S/c1-4-28-19(25)11-10-15-12-16(24)13-18-20(29-17-8-6-5-7-9-17)23(2)21(26)22(15,18)14-27-3/h5-11,15,18,20H,4,12-14H2,1-3H3/b11-10+/t15-,18-,20-,22-/m0/s1 |
| InChIKey |
HZFSFOJBEGCKEF-NCYAORDQSA-N |
| Molecular Weight |
417.520 g/mol |
| SMILES |
[C@@]12(C(N(C)[C@]([C@@]2(CC(C[C@@]1(\C=C\C(=O)OCC)[H])=O)[H])(Sc1ccccc1)[H])=O)COC |
| SPLASH |
splash10-06xt-8697000000-d6406c10fe4dbd15dda4 |
| Source of Spectrum |
J-54-288-38 |
| Synonyms |
(1.alpha.,3a.alpha.,4.beta.(E),7'a.alpha.)-(+,-)-Ethyl 3-[octahydro-3a-(methoxymethyl)-2-methyl-1-(phenylthio)-3,6-dioxo-[1H]isoindol-4-yl]-2-propenoate
Ethyl (2E)-3-[(1S,3aS,4R,7aR)-3a-(methoxymethyl)-2-methyl-3,6-dioxo-1-(phenylsulfanyl)octahydro-1H-isoindol-4-yl]-2-propenoate |
| Wiley ID |
1376825 |
![2-Propenoic acid, 3-[octahydro-3a-(methoxymethyl)-2-methyl-3,6-dioxo-1-(phenylthio)-1H-isoindol-4-yl]-, ethyl ester, [1.alpha.,3a.alpha.,4.beta.(E),7a.alpha.]-(.+-.)-](/api/spectrum/5eDk7mP25au/structure.png?h=300&w=458 "2-Propenoic acid, 3-[octahydro-3a-(methoxymethyl)-2-methyl-3,6-dioxo-1-(phenylthio)-1H-isoindol-4-yl]-, ethyl ester, [1.alpha.,3a.alpha.,4.beta.(E),7a.alpha.]-(.+-.)-")
