| SpectraBase Spectrum ID |
7su3fjatKiQ |
| Name |
Methyl 2-{[(3-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.064506934 u |
| Formula |
C18H18ClNO4S |
| InChI |
InChI=1S/C18H18ClNO4S/c1-23-18(22)16-13-7-2-3-8-14(13)25-17(16)20-15(21)10-24-12-6-4-5-11(19)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21) |
| InChIKey |
RJQWLORBUAOTEU-UHFFFAOYSA-N |
| Molecular Weight |
379.858 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OC)C(=O)COC1=CC(Cl)=CC=C1 |
![Methyl 2-{[(3-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/7su3fjatKiQ/structure.png?h=300&w=458 "Methyl 2-{[(3-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
