| SpectraBase Spectrum ID |
HKZjRUjQTbC |
| Name |
Methyl 2-{[(2-chlorophenoxy)acetyl]amino}-6-phenyl-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 |
455.095807062 u |
| Formula |
C24H22ClNO4S |
| InChI |
InChI=1S/C24H22ClNO4S/c1-29-24(28)22-17-12-11-16(15-7-3-2-4-8-15)13-20(17)31-23(22)26-21(27)14-30-19-10-6-5-9-18(19)25/h2-10,16H,11-14H2,1H3,(H,26,27) |
| InChIKey |
PQFHHYHBLYHYCY-UHFFFAOYSA-N |
| Molecular Weight |
455.956 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C1=CC=CC=C1)C(=O)OC)C(=O)COC1=C(Cl)C=CC=C1 |
![Methyl 2-{[(2-chlorophenoxy)acetyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/HKZjRUjQTbC/structure.png?h=300&w=458 "Methyl 2-{[(2-chlorophenoxy)acetyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
