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5-Cyano-2-methyl-4-[4-(morpholin-4-yl)phenyl]-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5iuwBMA3l6v
InChI InChI=1S/C20H21N3O3S/c1-3-26-20(24)17-13(2)22-19(27)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,16H,3,8-11H2,1-2H3
InChIKey RCASQFAELFMCQS-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFxZbX94dug
Name 5-Cyano-2-methyl-4-[4-(morpholin-4-yl)phenyl]-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-cyano-2-methyl-4-(4-morpholinophenyl)-6-thioxo-5,6-dihydropyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O3S
InChI InChI=1S/C20H21N3O3S/c1-3-26-20(24)17-13(2)22-19(27)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,16H,3,8-11H2,1-2H3
InChIKey RCASQFAELFMCQS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400020
Molecular Weight 383.466 g/mol
SMILES c1(ccc(cc1)C1=C(C(=NC(C1C#N)=S)C)C(OCC)=O)N1CCOCC1
SPLASH splash10-001i-0049000000-b4badc12c6eb12b1bed6
Source of Spectrum QA-51-133-24
Wiley ID 1795874