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methyl 2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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methyl 2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID GNjXnSLOYae
InChI InChI=1S/C27H24N2O5S/c1-32-15-11-12-17(22(13-15)33-2)21-14-19(16-7-4-5-9-20(16)28-21)25(30)29-26-24(27(31)34-3)18-8-6-10-23(18)35-26/h4-5,7,9,11-14H,6,8,10H2,1-3H3,(H,29,30)
InChIKey GHWQFLYXKUVILA-UHFFFAOYSA-N
Mol Weight 488.56 g/mol
Molecular Formula C27H24N2O5S
Exact Mass 488.140593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTKWUkW18rq
Name Methyl 2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.140593050 u
Formula C27H24N2O5S
InChI InChI=1S/C27H24N2O5S/c1-32-15-11-12-17(22(13-15)33-2)21-14-19(16-7-4-5-9-20(16)28-21)25(30)29-26-24(27(31)34-3)18-8-6-10-23(18)35-26/h4-5,7,9,11-14H,6,8,10H2,1-3H3,(H,29,30)
InChIKey GHWQFLYXKUVILA-UHFFFAOYSA-N
Molecular Weight 488.558 g/mol
SMILES N(C1=C(C=2CCCC2S1)C(=O)OC)C(C=1C=C(C2=C(C=C(C=C2)OC)OC)N=C2C1C=CC=C2)=O