| SpectraBase Spectrum ID |
CTdWt9BnGnK |
| Name |
Ethanethioic acid, S-[2-[[3-[4-(acetyloxy)-3-bromophenyl]-2-[(acetyloxy)imino]-1-oxopropyl]amino]ethyl]ester |
| CAS Registry Number |
109152-29-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19BrN2O6S |
| InChI |
InChI=1S/C17H19BrN2O6S/c1-10(21)25-16-5-4-13(8-14(16)18)9-15(20-26-11(2)22)17(24)19-6-7-27-12(3)23/h4-5,8H,6-7,9H2,1-3H3,(H,19,24)/b20-15- |
| InChIKey |
URANTTOBFYEHQG-HKWRFOASSA-N |
| Molecular Weight |
459.311 g/mol |
| SMILES |
N(C(\C(=N/OC(=O)C)Cc1cc(Br)c(cc1)OC(=O)C)=O)CCSC(=O)C |
| SPLASH |
splash10-00di-0094100000-331bf99711e4621e5ee1 |
| Source of Spectrum |
J-52-3586-4 |
| Synonyms |
1-Bromo-2-acetoxy-5-(4-aza-7-thia-7-acetyl-3-oxo-2-acetoxyimino-pentyl)-benzene
4-((2Z)-2-[(acetyloxy)imino]-3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)-2-bromophenyl acetate |
| Wiley ID |
1389740 |
![Ethanethioic acid, S-[2-[[3-[4-(acetyloxy)-3-bromophenyl]-2-[(acetyloxy)imino]-1-oxopropyl]amino]ethyl]ester](/api/spectrum/CTdWt9BnGnK/structure.png?h=300&w=458 "Ethanethioic acid, S-[2-[[3-[4-(acetyloxy)-3-bromophenyl]-2-[(acetyloxy)imino]-1-oxopropyl]amino]ethyl]ester")
