Compound Identification
SMILES
[Na+].[I-].OC1C(Cl)CN(C=O)C(O)(C1O)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=JNKUAPOWEYFLGD-UHFFFAOYSA-M
Formula
C14H14ClINNaO4S
Mass
477.67
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
2,3,5-trisubstituted thiophenes Piperidines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols 1,2-diols Chlorohydrins Alkanolamines Azacyclic compounds Organic metal halides Hydrocarbon derivatives Carbonyl compounds Organic iodide salts Organic oxides Alkyl chlorides Organic sodium salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 2,3,5-trisubstituted thiophene - Piperidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - 1,2-diol - Carboxamide group - Chlorohydrin - Halohydrin - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Organic metal halide - Polyol - Azacycle - Organic alkali metal salt - Organic salt - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Alkyl halide - Organic iodide salt - Organic sodium salt - Organic zwitterion - 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