Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)N1C(SCC1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MROULZWCFGGPLT-UHFFFAOYSA-N
Formula
C17H14BrNO3S
Mass
392.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Benzoic acid esters Benzoyl derivatives Bromobenzenes Aryl bromides Thiazolidines Tertiary carboxylic acid amides Methyl esters Lactams Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available