Compound Identification
SMILES
OC(=O)C(F)(F)F.FC(F)(F)OC1=CC=CC(CN(C2CCNCC2)C2=CC3=C(SC=C3)C=C2)=C1
InChIKey
InChIKey=ZDOBCJQOOFONAW-UHFFFAOYSA-N
Formula
C23H22F6N2O3S
Mass
520.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Benzylamines Dialkylarylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aminopiperidines Aralkylamines Heteroaromatic compounds Alpha-halocarboxylic acids Thiophenes Trihalomethanes Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
1-benzothiophene - Phenylmethylamine - Phenoxy compound - Dialkylarylamine - Phenol ether - Benzylamine - Aralkylamine - 4-aminopiperidine - Piperidine - Benzenoid - Monocyclic benzene moiety - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Thiophene - Heteroaromatic compound - Trihalomethane - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Halomethane - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available