| SpectraBase Spectrum ID |
IPuU8LzEAB2 |
| Name |
Ethyl 2-({[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.192628624 u |
| Formula |
C30H30N2O4S |
| InChI |
InChI=1S/C30H30N2O4S/c1-3-35-20-16-14-19(15-17-20)25-18-23(21-10-8-9-12-24(21)31-25)28(33)32-29-27(30(34)36-4-2)22-11-6-5-7-13-26(22)37-29/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33) |
| InChIKey |
VVLLEAWANKPOIN-UHFFFAOYSA-N |
| Molecular Weight |
514.640 g/mol |
| SMILES |
N(C1=C(C=2CCCCCC2S1)C(=O)OCC)C(C=1C=C(C2=CC=C(OCC)C=C2)N=C2C1C=CC=C2)=O |
![ethyl 2-({[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/IPuU8LzEAB2/structure.png?h=300&w=458 "ethyl 2-({[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
