| SpectraBase Spectrum ID |
9eOXxiQ8ZWv |
| Name |
Methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.046270047 u |
| Formula |
C19H19Cl2NO3S |
| InChI |
InChI=1S/C19H19Cl2NO3S/c1-25-19(24)17-12-5-3-2-4-6-15(12)26-18(17)22-16(23)10-11-7-8-13(20)14(21)9-11/h7-9H,2-6,10H2,1H3,(H,22,23) |
| InChIKey |
JSSLVOXYNHDWAB-UHFFFAOYSA-N |
| Molecular Weight |
412.331 g/mol |
| SMILES |
N(C1=C(C=2CCCCCC2S1)C(=O)OC)C(=O)CC1=CC(Cl)=C(C=C1)Cl |
![methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/9eOXxiQ8ZWv/structure.png?h=300&w=458 "methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
