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6-[(2-butoxy-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 7GtAmuX7Hhi
InChI InChI=1S/C26H27N3O4S/c1-3-5-14-33-21(30)17-34-25-20(15-27)22(19-12-9-13-28-16-19)23(26(31)32-4-2)24(29-25)18-10-7-6-8-11-18/h6-13,16,22,29H,3-5,14,17H2,1-2H3
InChIKey OTQKBKNWPVMJLG-UHFFFAOYSA-N
Mol Weight 477.58 g/mol
Molecular Formula C26H27N3O4S
Exact Mass 477.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OTxNtuqw3C
Name 6-[(2-butoxy-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O4S
InChI InChI=1S/C26H27N3O4S/c1-3-5-14-33-21(30)17-34-25-20(15-27)22(19-12-9-13-28-16-19)23(26(31)32-4-2)24(29-25)18-10-7-6-8-11-18/h6-13,16,22,29H,3-5,14,17H2,1-2H3
InChIKey OTQKBKNWPVMJLG-UHFFFAOYSA-N
Molecular Weight 477.579 g/mol
SMILES N1C(=C(C(C(=C1c1ccccc1)C(=O)OCC)c1cnccc1)C#N)SCC(=O)OCCCC
SPLASH splash10-0f6w-7597300000-625c15f09133b28291e6
Synonyms 6-[(2-butoxy-2-oxoethyl)thio]-5-cyano-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Ethyl 6-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Ethyl 6-(2-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate
Wiley ID 1455014