Compound Identification
SMILES
COC1=CC=C(C=C1)C1SC(C)C(=O)N1C1=C(C=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=AOCUWEVHFVVIPD-UHFFFAOYSA-N
Formula
C18H16BrNO4S
Mass
422.29
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
3-halobenzoic acids Halobenzoic acids Benzoic acids Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Thiazolidines Vinylogous amides Lactams Azacyclic compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Dialkylthioether - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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