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N-[4-(acetylamino)phenyl]-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl}sulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-[4-(acetylamino)phenyl]-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl}sulfanyl)acetamide
SpectraBase Compound ID DL9UghJX47O
InChI InChI=1S/C33H30N4O4S/c1-21(38)35-24-12-14-25(15-13-24)36-30(40)20-42-33-27(18-34)31(32-28(37-33)8-5-9-29(32)39)23-10-16-26(17-11-23)41-19-22-6-3-2-4-7-22/h2-4,6-7,10-17,31,37H,5,8-9,19-20H2,1H3,(H,35,38)(H,36,40)
InChIKey DCLCFNQRKMLFQM-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C33H30N4O4S
Exact Mass 578.198777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JV8EWxcaMkJ
Name N-[4-(Acetylamino)phenyl]-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.198776632 u
Formula C33H30N4O4S
InChI InChI=1S/C33H30N4O4S/c1-21(38)35-24-12-14-25(15-13-24)36-30(40)20-42-33-27(18-34)31(32-28(37-33)8-5-9-29(32)39)23-10-16-26(17-11-23)41-19-22-6-3-2-4-7-22/h2-4,6-7,10-17,31,37H,5,8-9,19-20H2,1H3,(H,35,38)(H,36,40)
InChIKey DCLCFNQRKMLFQM-UHFFFAOYSA-N
Molecular Weight 578.687 g/mol
SMILES N1C2=C(C(C(=C1SCC(NC=1C=CC(NC(=O)C)=CC1)=O)C#N)C=1C=CC(OCC=3C=CC=CC3)=CC1)C(CCC2)=O