SpectraBase Spectrum ID |
K6jh3jUr3u6 |
Name |
6-[(5Z)-5-(2-Hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.070465059 u |
Formula |
C17H19NO5S2 |
InChI |
InChI=1S/C17H19NO5S2/c1-23-12-7-5-6-11(15(12)21)10-13-16(22)18(17(24)25-13)9-4-2-3-8-14(19)20/h5-7,10,21H,2-4,8-9H2,1H3,(H,19,20)/b13-10- |
InChIKey |
JWGRPVVOMKLPMC-RAXLEYEMSA-N |
Molecular Weight |
381.461 g/mol |
SMILES |
OC(CCCCCN1C(\C(=C\C2=C(C(=CC=C2)OC)O)SC1=S)=O)=O |