Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

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

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