| SpectraBase Spectrum ID |
7GSDXTpNsnT |
| Name |
3-(methylthio)-4-nicotinoyl-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester |
| Alternate Name(s) |
3-(methylthio)-4-[oxo(3-pyridinyl)methyl]-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
ethyl 3-methylsulfanyl-5-phenyl-4-(pyridine-3-carbonyl)-1H-pyrrole-2-carboxylate
ethyl 3-methylsulfanyl-5-phenyl-4-pyridin-3-ylcarbonyl-1H-pyrrole-2-carboxylate |
| CAS Registry Number |
132059-08-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18N2O3S |
| InChI |
InChI=1S/C20H18N2O3S/c1-3-25-20(24)17-19(26-2)15(18(23)14-10-7-11-21-12-14)16(22-17)13-8-5-4-6-9-13/h4-12,22H,3H2,1-2H3 |
| InChIKey |
IKYKQIPIBVXBAO-UHFFFAOYSA-N |
| Molecular Weight |
366.435 g/mol |
| SMILES |
[nH]1c(c(c(c1-c1ccccc1)C(c1cnccc1)=O)SC)C(=O)OCC |
| SPLASH |
splash10-014i-0009000000-f4d36c7bc8c30b411741 |
| Source of Spectrum |
F-46-6780-25 |
| Wiley ID |
1351917 |
