| SpectraBase Spectrum ID |
CEeVThTSSAg |
| Name |
1,3-Dithiane-2-carboxylic acid, 2-[6-[2-[(4-chloro-1-oxobutyl)amino]ethyl]-1,3-benzodioxol-5-yl]-, methyl ester |
| Alternate Name(s) |
Methyl 2-(6-{2-[(4-chlorobutanoyl)amino]ethyl}-1,3-benzodioxol-5-yl)-1,3-dithiane-2-carboxylate |
| CAS Registry Number |
124021-81-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24ClNO5S2 |
| InChI |
InChI=1S/C19H24ClNO5S2/c1-24-18(23)19(27-8-3-9-28-19)14-11-16-15(25-12-26-16)10-13(14)5-7-21-17(22)4-2-6-20/h10-11H,2-9,12H2,1H3,(H,21,22) |
| InChIKey |
CMRPYUSDMWQCQA-UHFFFAOYSA-N |
| Molecular Weight |
445.976 g/mol |
| SMILES |
N(C(=O)CCCCl)CCc1c(C2(C(=O)OC)SCCCS2)cc2OCOc2c1 |
| SPLASH |
splash10-015a-0090000000-a373886ba192d2aac0c3 |
| Source of Spectrum |
J-55-835-22 |
| Wiley ID |
1386299 |
![1,3-Dithiane-2-carboxylic acid, 2-[6-[2-[(4-chloro-1-oxobutyl)amino]ethyl]-1,3-benzodioxol-5-yl]-, methyl ester](/api/spectrum/CEeVThTSSAg/structure.png?h=300&w=458 "1,3-Dithiane-2-carboxylic acid, 2-[6-[2-[(4-chloro-1-oxobutyl)amino]ethyl]-1,3-benzodioxol-5-yl]-, methyl ester")
