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isopropyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

isopropyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IfbePPwlM95
InChI InChI=1S/C31H32N2O5S/c1-18(2)38-31(35)28-21-11-6-5-7-13-27(21)39-30(28)33-29(34)22-17-24(32-23-12-9-8-10-20(22)23)19-14-15-25(36-3)26(16-19)37-4/h8-10,12,14-18H,5-7,11,13H2,1-4H3,(H,33,34)
InChIKey RTXWHTUMDKIHTB-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H32N2O5S
Exact Mass 544.203193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9l2qoa6406o
Name Isopropyl 2-({[2-(3,4-dimethoxyphenyl)-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 544.203193307 u
Formula C31H32N2O5S
InChI InChI=1S/C31H32N2O5S/c1-18(2)38-31(35)28-21-11-6-5-7-13-27(21)39-30(28)33-29(34)22-17-24(32-23-12-9-8-10-20(22)23)19-14-15-25(36-3)26(16-19)37-4/h8-10,12,14-18H,5-7,11,13H2,1-4H3,(H,33,34)
InChIKey RTXWHTUMDKIHTB-UHFFFAOYSA-N
Molecular Weight 544.666 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCCC2)S1)C(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O