| SpectraBase Spectrum ID |
Lmw9pU0cCb1 |
| Name |
2-{(5Z)-5-[4-(Allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.049729613 u |
| Formula |
C18H17NO6S2 |
| InChI |
InChI=1S/C18H17NO6S2/c1-2-9-25-12-5-3-11(4-6-12)10-14-16(22)19(18(26)27-14)13(17(23)24)7-8-15(20)21/h2-6,10,13H,1,7-9H2,(H,20,21)(H,23,24)/b14-10- |
| InChIKey |
VUJLRVNKPUKODV-UVTDQMKNSA-N |
| Molecular Weight |
407.455 g/mol |
| SMILES |
OC(C(CCC(=O)O)N1C(S\C(C1=O)=C\C1=CC=C(C=C1)OCC=C)=S)=O |
![2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid](/api/spectrum/Lmw9pU0cCb1/structure.png?h=300&w=458 "2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid")
