| SpectraBase Spectrum ID |
9wGFUzkJ8El |
| Name |
4-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.093642857 u |
| Formula |
C21H18N2O5S |
| InChI |
InChI=1S/C21H18N2O5S/c1-3-27-17-11-13(10-15-18(24)22-21(29)23-19(15)25)6-9-16(17)28-20(26)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,22,23,24,25,29) |
| InChIKey |
TYTQUFRXZVEJIF-UHFFFAOYSA-N |
| Molecular Weight |
410.444 g/mol |
| SMILES |
N1C(NC(C(C1=O)=CC=1C=C(OCC)C(OC(C2=CC=C(C=C2)C)=O)=CC1)=O)=S |
![4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate](/api/spectrum/9wGFUzkJ8El/structure.png?h=300&w=458 "4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate")
