| SpectraBase Spectrum ID |
9e1YYazDDoK |
| Name |
1,3-Dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.099456512 u |
| Formula |
C22H19N3O6S |
| InChI |
InChI=1S/C22H19N3O6S/c1-2-31-12-7-8-15-17(11-12)32-22(23-15)24-18(26)10-9-16(21(29)30)25-19(27)13-5-3-4-6-14(13)20(25)28/h3-8,11,16H,2,9-10H2,1H3,(H,29,30)(H,23,24,26) |
| InChIKey |
CXLUJEGQCXDDEF-UHFFFAOYSA-N |
| Molecular Weight |
453.469 g/mol |
| SMILES |
N(C(CCC(C(O)=O)N1C(C=2C=CC=CC2C1=O)=O)=O)C=1SC=2C=C(C=CC2N1)OCC |
![1,3-Dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid](/api/spectrum/9e1YYazDDoK/structure.png?h=300&w=458 "1,3-Dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid")
