| SpectraBase Spectrum ID |
7ZY9IDVcOQC |
| Name |
Methyl 2-({[2-(4-isopropoxyphenyl)-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 |
500.176978560 u |
| Formula |
C29H28N2O4S |
| InChI |
InChI=1S/C29H28N2O4S/c1-17(2)35-19-14-12-18(13-15-19)24-16-22(20-8-4-6-10-23(20)30-24)27(32)31-28-26(29(33)34-3)21-9-5-7-11-25(21)36-28/h4,6,8,10,12-17H,5,7,9,11H2,1-3H3,(H,31,32) |
| InChIKey |
XUMSIXVHZNSUIY-UHFFFAOYSA-N |
| Molecular Weight |
500.613 g/mol |
| SMILES |
N(C1=C(C2=C(CCCC2)S1)C(=O)OC)C(C1=CC(C2=CC=C(OC(C)C)C=C2)=NC=2C1=CC=CC2)=O |
![Methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/7ZY9IDVcOQC/structure.png?h=300&w=458 "Methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
