| SpectraBase Spectrum ID |
KUqYEOIF5lU |
| Name |
(2E)-3-Keto-5-(4-methoxyphenyl)-7-methyl-2-[3-[2-(4-methylphenoxy)ethoxy]benzylidene]-5H-thiazolo[3,2-A]pyrimidine-6-carboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
584.198107926 u |
| Formula |
C33H32N2O6S |
| InChI |
InChI=1S/C33H32N2O6S/c1-5-39-32(37)29-22(3)34-33-35(30(29)24-11-15-25(38-4)16-12-24)31(36)28(42-33)20-23-7-6-8-27(19-23)41-18-17-40-26-13-9-21(2)10-14-26/h6-16,19-20,30H,5,17-18H2,1-4H3/b28-20+ |
| InChIKey |
CKKMXUXHPUSIBR-VFCFBJKWSA-N |
| Molecular Weight |
584.687 g/mol |
| SMILES |
CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/C1=CC(OCCOC=2C=CC(=CC2)C)=CC=C1)C=1C=CC(=CC1)OC)=O |
![(2E)-3-keto-5-(4-methoxyphenyl)-7-methyl-2-[3-[2-(4-methylphenoxy)ethoxy]benzylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester](/api/spectrum/KUqYEOIF5lU/structure.png?h=300&w=458 "(2E)-3-keto-5-(4-methoxyphenyl)-7-methyl-2-[3-[2-(4-methylphenoxy)ethoxy]benzylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester")
