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Methyl 6-tert-butyl-2-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Methyl 6-tert-butyl-2-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EdG35hdtCQf
InChI InChI=1S/C32H34N2O4S/c1-6-38-21-11-9-10-19(16-21)26-18-24(22-12-7-8-13-25(22)33-26)29(35)34-30-28(31(36)37-5)23-15-14-20(32(2,3)4)17-27(23)39-30/h7-13,16,18,20H,6,14-15,17H2,1-5H3,(H,34,35)
InChIKey QJDOQQYMUMSRDS-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C32H34N2O4S
Exact Mass 542.223929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FT69vzaQEIX
Name Methyl 6-tert-butyl-2-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-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 542.223928753 u
Formula C32H34N2O4S
InChI InChI=1S/C32H34N2O4S/c1-6-38-21-11-9-10-19(16-21)26-18-24(22-12-7-8-13-25(22)33-26)29(35)34-30-28(31(36)37-5)23-15-14-20(32(2,3)4)17-27(23)39-30/h7-13,16,18,20H,6,14-15,17H2,1-5H3,(H,34,35)
InChIKey QJDOQQYMUMSRDS-UHFFFAOYSA-N
Molecular Weight 542.694 g/mol
SMILES N(C1=C(C=2CCC(CC2S1)C(C)(C)C)C(=O)OC)C(C=1C=C(C2=CC(OCC)=CC=C2)N=C2C1C=CC=C2)=O