For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LBahF2xd7Ub
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
Mol Weight 530.64 g/mol
Molecular Formula C30H30N2O5S
Exact Mass 530.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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