| SpectraBase Spectrum ID |
AQHVIC6L3uR |
| Name |
Propyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}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 |
458.106706099 u |
| Formula |
C23H23ClN2O4S |
| InChI |
InChI=1S/C23H23ClN2O4S/c1-3-12-29-23(28)19-15-9-5-7-11-17(15)31-22(19)25-21(27)18-13(2)30-26-20(18)14-8-4-6-10-16(14)24/h4,6,8,10H,3,5,7,9,11-12H2,1-2H3,(H,25,27) |
| InChIKey |
GWIZBXUUKUGLOY-UHFFFAOYSA-N |
| Molecular Weight |
458.960 g/mol |
| SMILES |
N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=C(C=2CCCCC2S1)C(=O)OCCC |
![Propyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/AQHVIC6L3uR/structure.png?h=300&w=458 "Propyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
