| SpectraBase Spectrum ID |
HodPY2ULc8S |
| Name |
(+)-(2S,3S)-3-Acetyloxy-5-(2-acetyoxyethyl)-2,3-dihydro-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 |
C22H23NO6S |
| InChI |
InChI=1S/C22H23NO6S/c1-14(24)28-13-12-23-18-6-4-5-7-19(18)30-21(20(22(23)26)29-15(2)25)16-8-10-17(27-3)11-9-16/h4-11,20-21H,12-13H2,1-3H3/t20-,21+/m1/s1 |
| InChIKey |
YLUJWLVIMYSNGT-RTWAWAEBSA-N |
| Molecular Weight |
429.487 g/mol |
| SMILES |
[C@]1(C(N(c2ccccc2S[C@]1(c1ccc(cc1)OC)[H])CCOC(=O)C)=O)(OC(=O)C)[H] |
| SPLASH |
splash10-0udi-0900000000-e8d68b20da7f9958bda6 |
| Source of Spectrum |
E1-39-1199-3 |
| Synonyms |
acetic acid 2-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl ester
2-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl acetate
2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl acetate
2-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl ethanoate |
| Wiley ID |
1598732 |
