| SpectraBase Spectrum ID |
HpJXWELdnRa |
| Name |
Dimethyl 1-benzyl-5-(tert-butylthiocarbomyl)-2-(methylthio)-1H-pyrrole-3,4-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N2O4S2 |
| InChI |
InChI=1S/C21H26N2O4S2/c1-21(2,3)22-17(28)16-14(19(24)26-4)15(20(25)27-5)18(29-6)23(16)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,22,28) |
| InChIKey |
COKDOHPVGGUYAQ-UHFFFAOYSA-N |
| Molecular Weight |
434.569 g/mol |
| SMILES |
N(C(c1c(c(c([n]1Cc1ccccc1)SC)C(=O)OC)C(=O)OC)=S)C(C)(C)C |
| SPLASH |
splash10-0006-9012100000-a45c85c726ea60a982cc |
| Source of Spectrum |
F-51-7029-8 |
| Synonyms |
Dimethyl 1-benzyl-2-[(tert-butylamino)carbothioyl]-5-(methylsulfanyl)-1H-pyrrole-3,4-dicarboxylate |
| Wiley ID |
792404 |
