| SpectraBase Spectrum ID |
44lZ5Mka0Lx |
| Name |
4-[(5Z)-5-[4-(2-Fluorobenzyl)oxybenzylidene]-2-imino-4-keto-thiazolidin-3-yl]benzoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.120606497 u |
| Formula |
C26H21FN2O4S |
| InChI |
InChI=1S/C26H21FN2O4S/c1-2-32-25(31)18-9-11-20(12-10-18)29-24(30)23(34-26(29)28)15-17-7-13-21(14-8-17)33-16-19-5-3-4-6-22(19)27/h3-15,28H,2,16H2,1H3/b23-15-,28-26? |
| InChIKey |
MTTUIQJUPRDYTQ-KAJIUBQISA-N |
| Molecular Weight |
476.522 g/mol |
| SMILES |
C1=CC=C(COC=2C=CC(\C=C\3C(N(C(S3)=N)C3=CC=C(C(=O)OCC)C=C3)=O)=CC2)C(F)=C1 |
![4-[(5Z)-5-[4-(2-fluorobenzyl)oxybenzylidene]-2-imino-4-keto-thiazolidin-3-yl]benzoic acid ethyl ester](/api/spectrum/44lZ5Mka0Lx/structure.png?h=300&w=458 "4-[(5Z)-5-[4-(2-fluorobenzyl)oxybenzylidene]-2-imino-4-keto-thiazolidin-3-yl]benzoic acid ethyl ester")
