| SpectraBase Spectrum ID |
2rJh8GInozU |
| Name |
5-Thiazolecarboxylic acid, 2-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]-4-methyl-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.135842022 u |
| Formula |
C21H23N3O5S |
| InChI |
InChI=1S/C21H23N3O5S/c1-3-29-20(28)17-13(2)22-21(30-17)23-16(25)11-5-4-8-12-24-18(26)14-9-6-7-10-15(14)19(24)27/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,22,23,25) |
| InChIKey |
CJFLSKBHNCKXCQ-UHFFFAOYSA-N |
| Molecular Weight |
429.491 g/mol |
| SMILES |
N(C1=NC(C)=C(S1)C(=O)OCC)C(CCCCCN1C(C=2C=CC=CC2C1=O)=O)=O |
![5-thiazolecarboxylic acid, 2-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]-4-methyl-, ethyl ester](/api/spectrum/2rJh8GInozU/structure.png?h=300&w=458 "5-thiazolecarboxylic acid, 2-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]-4-methyl-, ethyl ester")
