| SpectraBase Spectrum ID |
1qAtyeXb0Oq |
| Name |
Ethyl 4-benzoyl-5-[(ethoxycarbonyl)methylthio]-2-thiophenecarboxylate |
| CAS Registry Number |
138696-66-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O5S2 |
| InChI |
InChI=1S/C18H18O5S2/c1-3-22-15(19)11-24-18-13(10-14(25-18)17(21)23-4-2)16(20)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3 |
| InChIKey |
FIPOPNVTFKZLPU-UHFFFAOYSA-N |
| Molecular Weight |
378.457 g/mol |
| SMILES |
c1(cc(c(s1)SCC(=O)OCC)C(c1ccccc1)=O)C(=O)OCC |
| SPLASH |
splash10-003r-0009000000-3402f2c04d7ccbcd155b |
| Source of Spectrum |
U-1992-392-7 |
| Synonyms |
ethyl 4-benzoyl-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate |
| Wiley ID |
764204 |
![Ethyl 4-benzoyl-5-[(ethoxycarbonyl)methylthio]-2-thiophenecarboxylate](/api/spectrum/1qAtyeXb0Oq/structure.png?h=300&w=458 "Ethyl 4-benzoyl-5-[(ethoxycarbonyl)methylthio]-2-thiophenecarboxylate")
