| SpectraBase Spectrum ID |
2fkjiGToh6R |
| Name |
Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-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/c1-4-35-29(33)26-21-13-12-17(2)14-25(21)36-28(26)31-27(32)22-16-24(18-8-7-9-19(15-18)34-3)30-23-11-6-5-10-20(22)23/h5-11,15-17H,4,12-14H2,1-3H3,(H,31,32) |
| InChIKey |
PDTGXWXEZJJFCC-UHFFFAOYSA-N |
| Molecular Weight |
500.613 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C)C(=O)OCC)C(C=1C=C(C2=CC(OC)=CC=C2)N=C2C1C=CC=C2)=O |
![Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/2fkjiGToh6R/structure.png?h=300&w=458 "Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
