Compound Identification
SMILES
CC1=C(CC(O)=O)C2=CC(O)=C(Cl)C=C2N1C(=O)C1=CSC(SC(F)(F)F)=C1
InChIKey
InChIKey=YRJYKLBWNXWWTB-UHFFFAOYSA-N
Formula
C17H11ClF3NO4S2
Mass
449.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
3-aroylthiophenes Indolecarboxylic acids and derivatives 3-alkylindoles Hydroxyindoles Thiophene carboxamides Halophenols 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Substituted pyrroles Aryl chlorides Heteroaromatic compounds Trihalomethanes Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Indolecarboxylic acid derivative - 3-aroylthiophene - Hydroxyindole - 3-alkylindole - Indole - 2-halophenol - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Thiophene - Pyrrole - Trihalomethane - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Halomethane - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available