| SpectraBase Spectrum ID |
DLiepJTLgFL |
| Name |
[1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid |
| CAS Registry Number |
296245-95-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17NO2S |
| InChI |
InChI=1S/C18H17NO2S/c1-22-18-14-9-5-6-10-15(14)19(16(18)11-17(20)21)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21) |
| InChIKey |
ZNRFHFNEYSLUQB-UHFFFAOYSA-N |
| Molecular Weight |
311.399 g/mol |
| SMILES |
OC(Cc1[n](c2c(cccc2)c1SC)Cc1ccccc1)=O |
| SPLASH |
splash10-03dl-9668000000-d7c8d1ec4b6667371cb0 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
2-(1-benzyl-3-methylsulfanyl-indol-2-yl)acetic acid
2-[1-benzyl-3-(methylthio)indol-2-yl]acetic acid
2-[3-(methylthio)-1-(phenylmethyl)-2-indolyl]acetic acid
2-[3-methylsulfanyl-1-(phenylmethyl)indol-2-yl]ethanoic acid
Acetic acid, 2-(1-benzyl-3-methylthio-2-indolyl)- |
| Wiley ID |
1424109 |
![[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid](/api/spectrum/DLiepJTLgFL/structure.png?h=300&w=458 "[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid")
