Compound Identification
SMILES
ClC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=FUUHYDFPIWXNPN-UHFFFAOYSA-N
Formula
C21H22ClNO3S
Mass
403.92
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
Thiophene carboxylic acids and derivatives Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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