Structure Information
Structure

Compound Identification

SMILES

CCCOC1=CC=C(C=C1)C(CC(O)=O)NC(=O)C1=C(Cl)C2=CC=CC=C2S1

InChIKey

InChIKey=RNRQDNIUQFKRIJ-UHFFFAOYSA-N

Formula

C21H20ClNO4S

Mass

417.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Beta amino acid or derivatives - Benzothiophene - 1-benzothiophene - Phenol ether - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Vinylogous halide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Organochloride - Organohalogen compound - Carbonyl group - 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 beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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