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

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propyl 2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID AF5v04Ad4Ip
InChI InChI=1S/C30H30N2O3S/c1-3-16-35-30(34)27-22-13-5-4-6-15-26(22)36-29(27)32-28(33)23-18-25(20-11-9-10-19(2)17-20)31-24-14-8-7-12-21(23)24/h7-12,14,17-18H,3-6,13,15-16H2,1-2H3,(H,32,33)
InChIKey YJDYZABLPJNMMG-UHFFFAOYSA-N
Mol Weight 498.64 g/mol
Molecular Formula C30H30N2O3S
Exact Mass 498.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UN1rthG4DM
Name Propyl 2-({[2-(3-methylphenyl)-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 498.197714005 u
Formula C30H30N2O3S
InChI InChI=1S/C30H30N2O3S/c1-3-16-35-30(34)27-22-13-5-4-6-15-26(22)36-29(27)32-28(33)23-18-25(20-11-9-10-19(2)17-20)31-24-14-8-7-12-21(23)24/h7-12,14,17-18H,3-6,13,15-16H2,1-2H3,(H,32,33)
InChIKey YJDYZABLPJNMMG-UHFFFAOYSA-N
Molecular Weight 498.641 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCCC)C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O