| SpectraBase Spectrum ID |
BAL9SNLoADO |
| Name |
1,4-Benzothiazepine-2-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-4,5-dihydro-7,8-dimethoxy-, methyl ester |
| CAS Registry Number |
110694-89-8 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19NO6S |
| InChI |
InChI=1S/C20H19NO6S/c1-23-14-7-12-9-21-18(11-4-5-13-16(6-11)27-10-26-13)19(20(22)25-3)28-17(12)8-15(14)24-2/h4-8,21H,9-10H2,1-3H3 |
| InChIKey |
TXZXCILXQLDKSP-UHFFFAOYSA-N |
| Molecular Weight |
401.433 g/mol |
| SMILES |
N1Cc2c(SC(=C1c1cc3OCOc3cc1)C(=O)OC)cc(c(c2)OC)OC |
| SPLASH |
splash10-0gbc-0219400000-1e1e7bea55a1e1d69656 |
| Source of Spectrum |
I-65-20-6 |
| Synonyms |
2-Carbomethoxy-4,5-dihydro-7,8-dimethoxy-3-[3',4'-methylenedioxyphenyl]-1,4-benzothiazepine
Methyl 3-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate |
| Wiley ID |
1369927 |
