Compound Identification
SMILES
[Na+].[O-]C(=O)CC1=C(C=C(O1)C1=CC2=CC=CC=C2S1)C1=CC=C(Cl)S1
InChIKey
InChIKey=AYEXMOZZNKYUHN-UHFFFAOYSA-M
Formula
C18H10ClNaO3S2
Mass
396.83
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 2,5-disubstituted thiophenes Aryl chlorides Benzenoids Heteroaromatic compounds Furans Carboxylic acid salts Oxacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 2,3,5-trisubstituted thiophene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic alkali metal salt - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic sodium salt - Organic zwitterion - Organic salt - 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