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DIETHYL-(4S,1'R)-6-METHYL-2-[(1'-PHENYLETHYLIMINO)-METHYL]-4-(THIEN-2''-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
SpectraBase Compound ID E5kWYbmYZem
InChI InChI=1S/C25H28N2O4S/c1-5-30-24(28)21-17(4)27-19(15-26-16(3)18-11-8-7-9-12-18)22(25(29)31-6-2)23(21)20-13-10-14-32-20/h7-16,23,27H,5-6H2,1-4H3/b26-15+/t16-,23+/m1/s1
InChIKey ZEIXNWBWOIACRT-YRLYGBLNSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh1EgHySAdo
Name Diethyl (4S,1'R)-6-Methyl-2-[(1'-phenylethylimino)methyl]-4-(thien-2'-yl)-1,4-dihydropyridine-3,5-dicarboxylate
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Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-5-30-24(28)21-17(4)27-19(15-26-16(3)18-11-8-7-9-12-18)22(25(29)31-6-2)23(21)20-13-10-14-32-20/h7-16,23,27H,5-6H2,1-4H3/b26-15+/t16-,23+/m1/s1
InChIKey ZEIXNWBWOIACRT-YRLYGBLNSA-N
Molecular Weight 452.569 g/mol
SMILES N1C(=C([C@@](C(=C1\C=N\[C@@](c1ccccc1)(C)[H])C(=O)OCC)(c1sccc1)[H])C(=O)OCC)C
SPLASH splash10-056r-2987200000-804645e67ff83c2723bc
Source of Spectrum F-69-4235-6
Synonyms Diethyl (4S)-2-methyl-6-((E)-{[(E,1R)-1-phenylethyl]imino}methyl)-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
Wiley ID 1595199