Compound Identification
SMILES
C[C@H]1CCN(C(=O)COC(=O)C2=C(F)C=C(F)C=C2O)C2=CC=CC=C2S1
InChIKey
InChIKey=SUNDCNBJUPUXBH-NSHDSACASA-N
Formula
C19H17F2NO4S
Mass
393.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
o-Hydroxybenzoic acid esters 2-halobenzoic acids and derivatives Salicylic acid and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives M-fluorophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Vinylogous acids Carboxylic acid esters Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-hydroxybenzoic acid ester - Benzothiazepine - Salicylic acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 3-fluorophenol - 3-halophenol - Aryl thioether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Vinylogous acid - Vinylogous halide - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Thioether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available