Compound Identification
SMILES
CC(=O)C([C@@H](NC(=O)OC(C)(C)C)C1=CC=C(Br)C=C1)C(=O)SC1=C(C)C=CC=C1C
InChIKey
InChIKey=XKXYGTOXDAOYTB-ANYOKISRSA-N
Formula
C24H28BrNO4S
Mass
506.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Thiophenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Thiophenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiophenol esters
Alternative Parents
m-Xylenes Aryl thioethers Fatty acyl thioesters Bromobenzenes Aryl bromides 1,3-dicarbonyl compounds Carbamate esters Thioesters Ketones Carbothioic S-esters Sulfenyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Thiophenol ester - Aryl thioether - M-xylene - Xylene - Bromobenzene - Halobenzene - Fatty acyl thioester - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Carbamic acid ester - Carbothioic s-ester - Ketone - Thiocarboxylic acid ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors
Not available