| SpectraBase Spectrum ID |
2oRIg5ibQ2U |
| Name |
2-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.111791480 u |
| Formula |
C20H23ClN2O3S |
| InChI |
InChI=1S/C20H23ClN2O3S/c1-11-10-13(21)8-9-15(11)26-12(2)19(25)23-20-17(18(22)24)14-6-4-3-5-7-16(14)27-20/h8-10,12H,3-7H2,1-2H3,(H2,22,24)(H,23,25) |
| InChIKey |
OZWWKUJFEBVCTQ-UHFFFAOYSA-N |
| Molecular Weight |
406.928 g/mol |
| SMILES |
NC(C1=C(SC=2CCCCCC12)NC(C(OC1=C(C=C(C=C1)Cl)C)C)=O)=O |
![2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide](/api/spectrum/2oRIg5ibQ2U/structure.png?h=300&w=458 "2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide")
