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tert-Butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 3W3elOJ1BH5
InChI InChI=1S/C20H23ClN2O2S/c1-6-26-18-15(11-22)17(13-7-9-14(21)10-8-13)16(12(2)23-18)19(24)25-20(3,4)5/h7-10,17,23H,6H2,1-5H3
InChIKey HTBIWHGQMIRGGY-UHFFFAOYSA-N
Mol Weight 390.93 g/mol
Molecular Formula C20H23ClN2O2S
Exact Mass 390.116877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E20hXynxdfH
Name tert-Butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate
CAS Registry Number 309732-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClN2O2S
InChI InChI=1S/C20H23ClN2O2S/c1-6-26-18-15(11-22)17(13-7-9-14(21)10-8-13)16(12(2)23-18)19(24)25-20(3,4)5/h7-10,17,23H,6H2,1-5H3
InChIKey HTBIWHGQMIRGGY-UHFFFAOYSA-N
Molecular Weight 390.929 g/mol
SMILES N1C(=C(C(C(=C1SCC)C#N)c1ccc(cc1)Cl)C(OC(C)(C)C)=O)C
SPLASH splash10-00di-8792000000-d6dcb9282cf21170a407
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-Chlorophenyl)-5-cyano-6-(ethylthio)-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Pyridine-3-carboxylic acid, 1,4-dihydro-4-(4-chlorophenyl)-5-cyano-6-ethylthio-2-methyl-, tert-butyl ester tert-Butyl 4-(4-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Wiley ID 1429540