| SpectraBase Spectrum ID |
54y6E0zLzjG |
| Name |
Methyl 4-cyano-5-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.109627274 u |
| Formula |
C25H19N3O4S |
| InChI |
InChI=1S/C25H19N3O4S/c1-14-19(13-26)24(33-22(14)25(30)32-3)28-23(29)18-12-21(15-7-6-8-16(11-15)31-2)27-20-10-5-4-9-17(18)20/h4-12H,1-3H3,(H,28,29) |
| InChIKey |
CXRPGHRJDICFSO-UHFFFAOYSA-N |
| Molecular Weight |
457.504 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C(=O)OC)C#N)C(C=1C=C(C2=CC(OC)=CC=C2)N=C2C1C=CC=C2)=O |
![Methyl 4-cyano-5-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2-thiophenecarboxylate](/api/spectrum/54y6E0zLzjG/structure.png?h=300&w=458 "Methyl 4-cyano-5-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2-thiophenecarboxylate")
