| SpectraBase Spectrum ID |
HfHXJmFbJqG |
| Name |
2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-(2-propenyl)-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(3aR)-5-allyl-3-(1H-indol-3-ylmethyl)dihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide
4-Indol-3'-ylmethyl-7-allyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide |
| CAS Registry Number |
118972-00-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17N3O3S |
| InChI |
InChI=1S/C17H17N3O3S/c1-2-7-20-16(21)14-13(19-24(23)15(14)17(20)22)8-10-9-18-12-6-4-3-5-11(10)12/h2-6,9,13-15,18-19H,1,7-8H2/t13?,14-,15?,24?/m0/s1 |
| InChIKey |
DYEOZLBIQXXDMM-LLLMVLCYSA-N |
| Molecular Weight |
343.401 g/mol |
| SMILES |
N1C(Cc2c[nH]c3c2cccc3)[C@]2(C(S1=O)C(N(CC=C)C2=O)=O)[H] |
| SPLASH |
splash10-001i-0901000000-737b2312c5d545c82567 |
| Source of Spectrum |
F-44-4950-14 |
| Wiley ID |
1337209 |
![2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-(2-propenyl)-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-](/api/spectrum/HfHXJmFbJqG/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-(2-propenyl)-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-")
