| SpectraBase Spectrum ID |
G40prHiFcNF |
| Name |
Methyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]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 |
486.124942985 u |
| Formula |
C27H22N2O5S |
| InChI |
InChI=1S/C27H22N2O5S/c1-32-27(31)24-17-7-3-5-9-23(17)35-26(24)29-25(30)18-13-20(28-19-8-4-2-6-16(18)19)15-10-11-21-22(12-15)34-14-33-21/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,29,30) |
| InChIKey |
MOPGPOBUGFBBFJ-UHFFFAOYSA-N |
| Molecular Weight |
486.542 g/mol |
| SMILES |
N(C1=C(C2=C(CCCC2)S1)C(=O)OC)C(C1=CC(C2=CC=3OCOC3C=C2)=NC=2C1=CC=CC2)=O |
![Methyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/G40prHiFcNF/structure.png?h=300&w=458 "Methyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
