Compound Identification
SMILES
CC(C)(C)[NH2+]CC(O)COC1=C(SC2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=FDUSVWWUHPBGFH-UHFFFAOYSA-O
Formula
C16H22NO4S
Mass
324.41
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 Alkyl aryl ethers Benzenoids Quaternary ammonium salts Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Thiophene - 1,2-aminoalcohol - Secondary alcohol - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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