| SpectraBase Spectrum ID |
DItCKlMJB7U |
| Name |
4-({4-[(5Z)-5-(2-Chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.031827079 u |
| Formula |
C21H17ClN2O4S2 |
| InChI |
InChI=1S/C21H17ClN2O4S2/c22-16-5-2-1-4-14(16)12-17-19(26)24(21(29)30-17)11-3-6-18(25)23-15-9-7-13(8-10-15)20(27)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,25)(H,27,28)/b17-12- |
| InChIKey |
JUXWHIAJTMLJPO-ATVHPVEESA-N |
| Molecular Weight |
460.950 g/mol |
| SMILES |
N(C(CCCN1C(S\C(C1=O)=C\C=1C(Cl)=CC=CC1)=S)=O)C1=CC=C(C(=O)O)C=C1 |
![4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid](/api/spectrum/DItCKlMJB7U/structure.png?h=300&w=458 "4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid")
