Structure Information
Structure

Compound Identification

SMILES

OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)SC1=CC(Br)=CC=C1

InChIKey

InChIKey=JPUIOOOIDKIHHL-NHCYSSNCSA-N

Formula

C13H14BrNO4S

Mass

360.22

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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 - Kainoids

Direct Parent

4-arylsulfanyl-substituted kainoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-arylsulfanyl-substituted kainoid skeleton - Proline or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Aryl thioether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Thiophenol ether - Thia fatty acid - Halobenzene - Alkylarylthioether - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Pyrrolidine - Amino acid - Secondary amine - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-arylsulfanyl-substituted kainoids. These are kainoids carrying an aryl sulfanyl group at the 4-position of the pyrrolidine ring.

External Descriptors

Not available

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