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2-(p-Methoxyphenyl)-8-methyl-4-[2H-4-hydroxy-2-oxo[1]benzopyran-3-yl]-2,5-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 8ptZ8kp3QP9
InChI InChI=1S/C26H21NO4S/c1-15-7-12-19-23(13-15)32-22(16-8-10-17(30-2)11-9-16)14-20(27-19)24-25(28)18-5-3-4-6-21(18)31-26(24)29/h3-14,22,27-28H,1-2H3
InChIKey BSBBESGEFWKKPG-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C26H21NO4S
Exact Mass 443.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYzX659pG3
Name 2-(p-Methoxyphenyl)-8-methyl-4-[2H-4-hydroxy-2-oxo[1]benzopyran-3-yl]-2,5-dihydro-1,5-benzothiazepine
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Formula C26H21NO4S
InChI InChI=1S/C26H21NO4S/c1-15-7-12-19-23(13-15)32-22(16-8-10-17(30-2)11-9-16)14-20(27-19)24-25(28)18-5-3-4-6-21(18)31-26(24)29/h3-14,22,27-28H,1-2H3
InChIKey BSBBESGEFWKKPG-UHFFFAOYSA-N
Molecular Weight 443.517 g/mol
SMILES N1c2c(SC(C=C1C1=C(c3ccccc3OC1=O)O)c1ccc(cc1)OC)cc(cc2)C
SPLASH splash10-002f-8910200000-25964a9d4cf157889d9c
Source of Spectrum Y1-42-2094-7
Synonyms 4-Hydroxy-3-[2-(4-methoxyphenyl)-8-methyl-2,5-dihydro-1,5-benzothiazepin-4-yl]-2H-chromen-2-one
Wiley ID 1565281