Compound Identification
SMILES
OC(=O)C1=C(CCS)C2=CC=CC=C2N1CC1=C(Br)C=CC(=C1)C(O)=O
InChIKey
InChIKey=XARQBKGNAFMNRA-UHFFFAOYSA-N
Formula
C19H16BrNO4S
Mass
434.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
3-alkylindoles 4-halobenzoic acids N-alkylindoles Halobenzoic acids Benzoic acids Pyrrole 2-carboxylic acids Benzoyl derivatives Bromobenzenes Substituted pyrroles Aryl bromides Heteroaromatic compounds Alkylthiols Azacyclic compounds Carboxylic acids Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - 4-halobenzoic acid or derivatives - N-alkylindole - Halobenzoic acid or derivatives - 4-halobenzoic acid - 3-alkylindole - Halobenzoic acid - Indole - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Bromobenzene - Substituted pyrrole - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Alkylthiol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available