| SpectraBase Spectrum ID |
3Ek8UWw3qom |
| Name |
2-(3-Nitro-4-chlorobenzamido)-3-ethoxycarbonyl-4,5-tetramethylenothiophene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.054670524 u |
| Formula |
C18H17ClN2O5S |
| InChI |
InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)15-11-5-3-4-6-14(11)27-17(15)20-16(22)10-7-8-12(19)13(9-10)21(24)25/h7-9H,2-6H2,1H3,(H,20,22) |
| InChIKey |
UUQQDPAUPUZHMV-UHFFFAOYSA-N |
| Molecular Weight |
408.856 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(c1cc(N(=O)=O)c(cc1)Cl)=O |
