| SpectraBase Spectrum ID |
HeRXPeMsA8I |
| Name |
3,3-Dimethylpyrrolidin-5-ylidineacetic acid, 2-[3,4(2H)dihydro-5-(methylthio)-2,3,3-trimethylpyrrol-2-yl]methylene-, t-butyl ester |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34N2O2S |
| InChI |
InChI=1S/C21H34N2O2S/c1-18(2,3)25-17(24)10-14-11-19(4,5)15(22-14)12-21(8)20(6,7)13-16(23-21)26-9/h10,12,22H,11,13H2,1-9H3/b14-10-,15-12- |
| InChIKey |
KFNMIAYGGCITPZ-LOQWIJHWSA-N |
| Molecular Weight |
378.575 g/mol |
| SMILES |
N1\C(CC(\C1=C/C1(C)C(C)(CC(=N1)SC)C)(C)C)=C/C(OC(C)(C)C)=O |
| SPLASH |
splash10-0pdi-7594000000-422a4d3c5f7d1b963577 |
| Synonyms |
tert-Butyl (2Z)-((5Z)-4,4-dimethyl-5-([2,3,3-trimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-2-yl]methylene)pyrrolidinylidene)ethanoate
tert-Butyl (2Z)-2-[(5Z)-4,4-dimethyl-5-[(4,4,5-trimethyl-2-methylsulfanyl-3H-pyrrol-5-yl)methylidene]pyrrolidin-2-ylidene]acetate |
| Wiley ID |
1479162 |
![3,3-Dimethylpyrrolidin-5-ylidineacetic acid, 2-[3,4(2H)dihydro-5-(methylthio)-2,3,3-trimethylpyrrol-2-yl]methylene-, t-butyl ester](/api/spectrum/HeRXPeMsA8I/structure.png?h=300&w=458 "3,3-Dimethylpyrrolidin-5-ylidineacetic acid, 2-[3,4(2H)dihydro-5-(methylthio)-2,3,3-trimethylpyrrol-2-yl]methylene-, t-butyl ester")
