| SpectraBase Spectrum ID |
BP1KoKujfks |
| Name |
Methyl 4-(3-(2-((4-methoxybenzyl)thio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.150429459 u |
| Formula |
C24H25NO4S |
| InChI |
InChI=1S/C24H25NO4S/c1-16-13-22(23(26)15-30-14-18-5-11-21(28-3)12-6-18)17(2)25(16)20-9-7-19(8-10-20)24(27)29-4/h5-13H,14-15H2,1-4H3 |
| InChIKey |
MGZAYXLHYDPOOC-UHFFFAOYSA-N |
| Molecular Weight |
423.527 g/mol |
| SMILES |
C(C1=CC=C(C=C1)N1C(=C(C=C1C)C(=O)CSCC1=CC=C(C=C1)OC)C)(=O)OC |
