Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=C(Cl)C3=C(S2)C=C(F)C=C3)=C(C)N1CC=C
InChIKey
InChIKey=LMKLLVVWIFMKMG-UHFFFAOYSA-N
Formula
C20H17ClFNO3S
Mass
405.87
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
Aryl alkyl ketones Thiophene carboxylic acids and derivatives Aryl chlorides Aryl fluorides Benzenoids Substituted pyrroles Heteroaromatic compounds Vinylogous halides Vinylogous amides Carboxylic acid esters Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Aryl alkyl ketone - Aryl ketone - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Pyrrole - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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