| SpectraBase Spectrum ID |
RoOV1jLQSa |
| Name |
Benzoic acid, 2-[[3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxopropyl]amino]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.076278714 u |
| Formula |
C22H20N2O6S2 |
| InChI |
InChI=1S/C22H20N2O6S2/c1-29-16-8-7-13(11-17(16)30-2)12-18-20(26)24(22(31)32-18)10-9-19(25)23-15-6-4-3-5-14(15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,27,28)/b18-12- |
| InChIKey |
ZUXRHHIOHWDEML-PDGQHHTCSA-N |
| Molecular Weight |
472.530 g/mol |
| SMILES |
N(C1=C(C(=O)O)C=CC=C1)C(CCN1C(S\C(C1=O)=C\C1=CC(OC)=C(C=C1)OC)=S)=O |
![benzoic acid, 2-[[3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxopropyl]amino]-](/api/spectrum/RoOV1jLQSa/structure.png?h=300&w=458 "benzoic acid, 2-[[3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxopropyl]amino]-")
