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(2E)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-2-propenenitrile

View entire compound with spectra: 2 NMR

(2E)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-2-propenenitrile
SpectraBase Compound ID 48TxecFpMyX
InChI InChI=1S/C27H20N2O3S/c1-31-26-15-19(12-13-25(26)32-17-24(30)21-10-6-3-7-11-21)14-22(16-28)27-29-23(18-33-27)20-8-4-2-5-9-20/h2-15,18H,17H2,1H3/b22-14+
InChIKey RWZSBKMTLIFELV-HYARGMPZSA-N
Mol Weight 452.53 g/mol
Molecular Formula C27H20N2O3S
Exact Mass 452.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqC4wmo1ndb
Name (2E)-3-[3-Methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-2-propenenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.119463683 u
Formula C27H20N2O3S
InChI InChI=1S/C27H20N2O3S/c1-31-26-15-19(12-13-25(26)32-17-24(30)21-10-6-3-7-11-21)14-22(16-28)27-29-23(18-33-27)20-8-4-2-5-9-20/h2-15,18H,17H2,1H3/b22-14+
InChIKey RWZSBKMTLIFELV-HYARGMPZSA-N
Molecular Weight 452.528 g/mol
SMILES C1=CC=C(C(COC=2C=CC(\C=C\(C3=NC(=CS3)C3=CC=CC=C3)C#N)=CC2OC)=O)C=C1