Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Thiophenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiophenol esters

Alternative Parents

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

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