| SpectraBase Spectrum ID |
7BjMsOzhnPt |
| Name |
1-benzoyl-5-besyl-2-keto-6-mercapto-4-phenyl-nicotinic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H21NO6S2 |
| InChI |
InChI=1S/C27H21NO6S2/c1-2-34-27(31)22-21(18-12-6-3-7-13-18)23(36(32,33)20-16-10-5-11-17-20)26(35)28(25(22)30)24(29)19-14-8-4-9-15-19/h3-17,35H,2H2,1H3 |
| InChIKey |
CASANHQANIZDDK-UHFFFAOYSA-N |
| Molecular Weight |
519.586 g/mol |
| SMILES |
SC1=C(S(=O)(=O)c2ccccc2)C(=C(C(N1C(=O)c1ccccc1)=O)C(=O)OCC)c1ccccc1 |
| SPLASH |
splash10-00di-0000910000-1df83149076d55cc2a04 |
| Source of Spectrum |
KC-0-3690-20 |
| Synonyms |
5-(benzenesulfonyl)-1-benzoyl-6-mercapto-2-oxo-4-phenyl-3-pyridinecarboxylic acid ethyl ester
ethyl 2-oxidanylidene-4-phenyl-1-(phenylcarbonyl)-5-(phenylsulfonyl)-6-sulfanyl-pyridine-3-carboxylate
ethyl 5-(benzenesulfonyl)-1-benzoyl-2-oxo-4-phenyl-6-sulfanyl-pyridine-3-carboxylate |
| Wiley ID |
831896 |
