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7-Chloro-3-cyano-2,3-dihydro-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID E4BJUZRXBIo
InChI InChI=1S/C17H13ClN2O2S/c1-22-12-5-2-10(3-6-12)16-13(9-19)17(21)20-14-8-11(18)4-7-15(14)23-16/h2-8,13,16H,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKey KEYCFKGSIZZOJG-CJNGLKHVSA-N
Mol Weight 344.82 g/mol
Molecular Formula C17H13ClN2O2S
Exact Mass 344.038627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5JJjYv3vyT
Name 7-Chloro-3-cyano-2,3-dihydro-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
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Formula C17H13ClN2O2S
InChI InChI=1S/C17H13ClN2O2S/c1-22-12-5-2-10(3-6-12)16-13(9-19)17(21)20-14-8-11(18)4-7-15(14)23-16/h2-8,13,16H,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKey KEYCFKGSIZZOJG-CJNGLKHVSA-N
Molecular Weight 344.816 g/mol
SMILES N1c2cc(ccc2S[C@]([C@](C1=O)(C#N)[H])(c1ccc(cc1)OC)[H])Cl
SPLASH splash10-0a4i-0932000000-bc51352d5217514647d8
Source of Spectrum SK-32-1088-3
Synonyms (2R,3S)-7-Chloro-3-cyano-2,3-dihydro-2-(4'-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (2R,3S)-7-Chloro-3-cyano-2,3-dihydro-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 7-Chloro-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile 7-Chloro-3-cyano-2,3-dihydro-2-(4'-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (2R,3S)-7-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile (2R,3S)-7-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile
Wiley ID 1548649