Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C([C@@H]1CSC(N1)C1=CN=CC=C1)C1=CNC2=C1C=CC=C2OCC1=CC=CC=C1
InChIKey
InChIKey=OICQTBYLLXWDBN-BAHZNLOQSA-N
Formula
C26H22F3N3O4S
Mass
529.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indoles
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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
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Benzene and substituted derivatives Vinylogous amides Thiazolidines Alpha-halocarboxylic acids Heteroaromatic compounds Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Indole - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Thiazolidine - Pyrrole - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available