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Ethyl 2-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Ethyl 2-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4cgbBrFb2IU
InChI InChI=1S/C27H24N2O3S/c1-2-32-27(31)24-19-13-7-9-15-23(19)33-26(24)29-25(30)20-16-22(17-10-4-3-5-11-17)28-21-14-8-6-12-18(20)21/h3-6,8,10-12,14,16H,2,7,9,13,15H2,1H3,(H,29,30)
InChIKey IXQOKWRURPGABD-UHFFFAOYSA-N
Mol Weight 456.56 g/mol
Molecular Formula C27H24N2O3S
Exact Mass 456.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQq0d4J4mMp
Name Ethyl 2-{[(2-phenyl-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 456.150763812 u
Formula C27H24N2O3S
InChI InChI=1S/C27H24N2O3S/c1-2-32-27(31)24-19-13-7-9-15-23(19)33-26(24)29-25(30)20-16-22(17-10-4-3-5-11-17)28-21-14-8-6-12-18(20)21/h3-6,8,10-12,14,16H,2,7,9,13,15H2,1H3,(H,29,30)
InChIKey IXQOKWRURPGABD-UHFFFAOYSA-N
Molecular Weight 456.560 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C1=CC(C2=CC=CC=C2)=NC=2C1=CC=CC2)=O