2-[[5-cyano-4-(4-ethoxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(1-naphthyl)acetamide

SpectraBase Compound ID	LpP4X294d0Z
InChI	InChI=1S/C27H25N3O4S/c1-3-34-23-12-11-18(13-24(23)33-2)20-14-25(31)30-27(21(20)15-28)35-16-26(32)29-22-10-6-8-17-7-4-5-9-19(17)22/h4-13,20H,3,14,16H2,1-2H3,(H,29,32)(H,30,31)
InChIKey	AKIADRAATNKKQT-UHFFFAOYSA-N Google Search
Mol Weight	487.57 g/mol
Molecular Formula	C27H25N3O4S
Exact Mass	487.156577 g/mol

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SpectraBase Spectrum ID	3Xvqzl5EWnJ
Name	2-[[5-Cyano-4-(4-ethoxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(1-naphthyl)acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	487.156577467 u
Formula	C27H25N3O4S
InChI	InChI=1S/C27H25N3O4S/c1-3-34-23-12-11-18(13-24(23)33-2)20-14-25(31)30-27(21(20)15-28)35-16-26(32)29-22-10-6-8-17-7-4-5-9-19(17)22/h4-13,20H,3,14,16H2,1-2H3,(H,29,32)(H,30,31)
InChIKey	AKIADRAATNKKQT-UHFFFAOYSA-N
Molecular Weight	487.574 g/mol
SMILES	C1(=C(NC(CC1C1=CC(OC)=C(C=C1)OCC)=O)SCC(NC1=C2C(C=CC=C2)=CC=C1)=O)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.842026