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Benzoic acid, 3-[[[2-(2-thienyl)-4-quinolinyl]carbonyl]amino]-, ethyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 3-[[[2-(2-thienyl)-4-quinolinyl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID BN8f8yBPUgb
InChI InChI=1S/C23H18N2O3S/c1-2-28-23(27)15-7-5-8-16(13-15)24-22(26)18-14-20(21-11-6-12-29-21)25-19-10-4-3-9-17(18)19/h3-14H,2H2,1H3,(H,24,26)
InChIKey VYHUVQPDTJHZFT-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C23H18N2O3S
Exact Mass 402.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TFQhyUdhiq
Name Benzoic acid, 3-[[[2-(2-thienyl)-4-quinolinyl]carbonyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.103813619 u
Formula C23H18N2O3S
InChI InChI=1S/C23H18N2O3S/c1-2-28-23(27)15-7-5-8-16(13-15)24-22(26)18-14-20(21-11-6-12-29-21)25-19-10-4-3-9-17(18)19/h3-14H,2H2,1H3,(H,24,26)
InChIKey VYHUVQPDTJHZFT-UHFFFAOYSA-N
Molecular Weight 402.468 g/mol
SMILES N(C(C1=CC(C=2SC=CC2)=NC=2C1=CC=CC2)=O)C1=CC(C(=O)OCC)=CC=C1