Compound Identification
SMILES
COC(=O)C1=C(NC(=O)NCCCl)SC2=CC=CC=C12
InChIKey
InChIKey=VVLHLAXSIHPUPB-UHFFFAOYSA-N
Formula
C13H13ClN2O3S
Mass
312.77
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 Vinylogous amides Methyl esters Heteroaromatic compounds Ureas Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxylic acid or derivatives - Benzenoid - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Urea - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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