| SpectraBase Spectrum ID |
HjHe8nEbOmq |
| Name |
(+)-(2S,3S)-3-Acetyloxy-2,3-dihydro-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO5S |
| InChI |
InChI=1S/C20H21NO5S/c1-13(23)26-18-19(14-7-9-15(25-2)10-8-14)27-17-6-4-3-5-16(17)21(11-12-22)20(18)24/h3-10,18-19,22H,11-12H2,1-2H3/t18-,19+/m1/s1 |
| InChIKey |
RBHXZANTTSUQRU-MOPGFXCFSA-N |
| Molecular Weight |
387.450 g/mol |
| SMILES |
OCCN1C([C@@]([C@@](Sc2c1cccc2)(c1ccc(cc1)OC)[H])(OC(=O)C)[H])=O |
| SPLASH |
splash10-00di-0900000000-c3dc5f9d5eaa90213ca6 |
| Source of Spectrum |
E1-39-1199-8 |
| Synonyms |
(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
acetic acid [(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
[(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
[(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate |
| Wiley ID |
1598730 |
