| SpectraBase Spectrum ID |
Bo3Ov4Ftlxm |
| Name |
7-Chloro-3-cyano-2,3-dihydro-2-(3',4'-methylenedioxyphenyl)-1,5-benzothiazepin-4(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11ClN2O3S |
| InChI |
InChI=1S/C17H11ClN2O3S/c18-10-2-4-15-12(6-10)20-17(21)11(7-19)16(24-15)9-1-3-13-14(5-9)23-8-22-13/h1-6,11,16H,8H2,(H,20,21)/t11-,16+/m1/s1 |
| InChIKey |
YZQNRIDFSMWION-BZNIZROVSA-N |
| Molecular Weight |
358.799 g/mol |
| SMILES |
N1c2cc(ccc2S[C@]([C@](C1=O)(C#N)[H])(c1cc2OCOc2cc1)[H])Cl |
| SPLASH |
splash10-0bt9-0912000000-8566d71b911111dc3148 |
| Source of Spectrum |
SK-32-1088-3 |
| Synonyms |
(2R,3S)-7-Chloro-3-cyano-2,3-dihydro-2-[3',4'-(methylenedioxy)phenyl]-1,5-benzothiazepin-4(5H)-one
2-(1,3-benzodioxol-5-yl)-7-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile
(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile
(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile |
| Wiley ID |
1548648 |
