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3-Cyano-2,3-dihydro-2-(p-chlorophenyl)-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID 4srqWLHtnFb
InChI InChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1
InChIKey AZDAUZVINAGTFS-DOMZBBRYSA-N
Mol Weight 314.79 g/mol
Molecular Formula C16H11ClN2OS
Exact Mass 314.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByAL5AB83oL
Name 3-Cyano-2,3-dihydro-2-(p-chlorophenyl)-1,5-benzothiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2OS
InChI InChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1
InChIKey AZDAUZVINAGTFS-DOMZBBRYSA-N
Molecular Weight 314.790 g/mol
SMILES N1c2ccccc2S[C@]([C@](C1=O)(C#N)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-000e-0920000000-fbcb566eb3760a6c1237
Source of Spectrum SK-32-1089-3
Synonyms (2R,3S)-3-Cyano-2,3-dihydro-2-(4'-chlorophenyl)-1,5-benzothiazepin-4(5H)-one (2R,3S)-3-Cyano-2,3-dihydro-2-(p-chlorophenyl)-1,5-benzothiazepin-4(5H)-one 2-(4-Chlorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile 3-Cyano-2,3-dihydro-2-(4'-chlorophenyl)-1,5-benzothiazepin-4(5H)-one (2R,3S)-2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile (2R,3S)-2-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile
Wiley ID 1548646