| SpectraBase Spectrum ID |
5XTzY0s7rJK |
| Name |
2-[2-[2-Methoxy-4-[(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.140986971 u |
| Formula |
C25H26N2O8S |
| InChI |
InChI=1S/C25H26N2O8S/c1-4-34-22(28)15-36-12-11-35-20-10-5-16(14-21(20)33-3)13-19-23(29)26-25(31)27(24(19)30)17-6-8-18(32-2)9-7-17/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,26,29,31)/b19-13- |
| InChIKey |
UZBJOSSBQPXWID-UYRXBGFRSA-N |
| Molecular Weight |
514.549 g/mol |
| SMILES |
CCOC(CSCCOC1=CC=C(\C=C/2C(N(C(NC2=O)=O)C2=CC=C(C=C2)OC)=O)C=C1OC)=O |
![2-[2-[2-methoxy-4-[(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester](/api/spectrum/5XTzY0s7rJK/structure.png?h=300&w=458 "2-[2-[2-methoxy-4-[(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester")
