| SpectraBase Spectrum ID |
yqCgROIDiW |
| Name |
(4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid |
| CAS Registry Number |
17547-79-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO3S |
| InChI |
InChI=1S/C11H11NO3S/c13-10(14)5-7-6-16-9-4-2-1-3-8(9)12-11(7)15/h1-4,7H,5-6H2,(H,12,15)(H,13,14) |
| InChIKey |
VCSCQLDBPVHQPW-UHFFFAOYSA-N |
| Molecular Weight |
237.273 g/mol |
| SMILES |
N1c2c(SCC(CC(=O)O)C1=O)cccc2 |
| SPLASH |
splash10-004r-9700000000-8abdf147de403ac146ed |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
2-(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
2-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)ethanoic acid
2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
Benzo[b]perhydrothiazepin-4-one-3-acetic acid |
| Wiley ID |
1421407 |
