Compound Identification
SMILES
CCOC(=O)C1=C(CSC2=CC=CC=C2)N(C2=CC(Br)=C(O)C(C[NH+](C)C)=C12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MFLYOUKVIZITHP-UHFFFAOYSA-O
Formula
C27H27BrClN2O3S
Mass
574.94
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
Phenylpyrroles Hydroxyindoles Indoles O-bromophenols Thiophenol ethers Pyrrole carboxylic acids and derivatives Aralkylamines Alkylarylthioethers Chlorobenzenes Aryl bromides Aryl chlorides Quaternary ammonium salts Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - 1-phenylpyrrole - Hydroxyindole - Indole - 2-halophenol - Aryl thioether - 2-bromophenol - Pyrrole-3-carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Aralkylamine - Chlorobenzene - Halobenzene - Phenol - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Aryl bromide - Vinylogous amide - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organobromide - Organochloride - Organonitrogen compound - Organic cation - 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