SpectraBase Spectrum ID |
5YazNRmRMQB |
Name |
Methyl 2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-ethyl-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 |
530.187543243 u |
Formula |
C30H30N2O5S |
InChI |
InChI=1S/C30H30N2O5S/c1-5-17-10-12-21-26(14-17)38-29(27(21)30(34)37-4)32-28(33)22-16-24(31-23-9-7-6-8-19(22)23)20-13-11-18(35-2)15-25(20)36-3/h6-9,11,13,15-17H,5,10,12,14H2,1-4H3,(H,32,33) |
InChIKey |
DBBISQIGHHFAAW-UHFFFAOYSA-N |
Molecular Weight |
530.639 g/mol |
SMILES |
N(C1=C(C=2CCC(CC2S1)CC)C(=O)OC)C(C=1C=C(C2=C(C=C(C=C2)OC)OC)N=C2C1C=CC=C2)=O |