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(S)-4-(2-Hydroxyphenyl)-2-(4-methylthiophenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 76reiRV66YF
InChI InChI=1S/C22H19NOS2/c1-25-16-12-10-15(11-13-16)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)26-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKey IMUGOSPSAXRDHH-QFIPXVFZSA-N
Mol Weight 377.52 g/mol
Molecular Formula C22H19NOS2
Exact Mass 377.090807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bd1lnUnSO3q
Name (S)-4-(2-Hydroxyphenyl)-2-(4-methylthiophenyl)-2,3-dihydro-1,5-benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NOS2
InChI InChI=1S/C22H19NOS2/c1-25-16-12-10-15(11-13-16)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)26-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKey IMUGOSPSAXRDHH-QFIPXVFZSA-N
Molecular Weight 377.520 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)SC)[H])cccc1
SPLASH splash10-0udi-0910000000-195a271cb7765b59ef4d
Source of Spectrum Y-51-147-14
Synonyms 4-(2-Hydroxyphenyl)-2-(4-thiomethylphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-2-(2-(4-(methylthio)phenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID 1741206