Compound Identification
SMILES
CN(CCCS(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC2=C(S1)C=C(Cl)C=C2)=C1C=CC(=CNCCCS(O)(=O)=O)C=C1
InChIKey
InChIKey=IZHJZFDTTSWAIV-UHFFFAOYSA-N
Formula
C29H31ClN2O6S3
Mass
635.21
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
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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
P-quinodimethanes Dialkylarylamines Aniline and substituted anilines 2,3,5-trisubstituted thiophenes Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Dialkylamines Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - P-quinodimethane - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Thiophene - Alkanesulfonic acid - Tertiary amine - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - 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