Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GAZOVXWKNCRBJC-YOYPFHDYSA-N

Formula

C16H20BrNO4S

Mass

402.3

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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 - Alpha-amino acid ester - Proline or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Thiophenol ether - Halobenzene - Alkylarylthioether - Bromobenzene - N-alkylpyrrolidine - Dicarboxylic acid or derivatives - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Methyl ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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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