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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Kainoids
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters Proline and derivatives Thiophenol ethers Pyrrolidine carboxylic acids Alkylarylthioethers Bromobenzenes N-alkylpyrrolidines Dicarboxylic acids and derivatives Aryl bromides Methyl esters Trialkylamines Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
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