| SpectraBase Spectrum ID |
4aGuwGSq53i |
| Name |
5-Carbethoxy-7-cyano-4-ethoxy-1-methyl-6-(methylyhio)indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N2O3S |
| InChI |
InChI=1S/C16H18N2O3S/c1-5-20-14-10-7-8-18(3)13(10)11(9-17)15(22-4)12(14)16(19)21-6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey |
ODGCXTOAHCROFF-UHFFFAOYSA-N |
| Molecular Weight |
318.391 g/mol |
| SMILES |
c1(c(c(C(=O)OCC)c(c2c1[n](cc2)C)OCC)SC)C#N |
| SPLASH |
splash10-00kf-0098000000-5de05904d97cfb9e4442 |
| Source of Spectrum |
F-53-14746-13 |
| Synonyms |
ethyl 7-cyano-4-ethoxy-1-methyl-6-(methylsulfanyl)-1H-indole-5-carboxylate |
| Wiley ID |
804114 |
