Compound Identification
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC=C(SC2CN(C)[C@@H]([C@H]2CC(=O)OC)C(=O)OC)C=C1
InChIKey
InChIKey=HWSCUZBTHOSDNM-NIKXMNBKSA-N
Formula
C28H47NO4SSn
Mass
612.46
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
-
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
-
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 Benzene and substituted derivatives Dicarboxylic acids and derivatives N-alkylpyrrolidines Metal aryls Methyl esters Trialkylamines Trialkyltins Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
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 - Pyrrolidine carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Metal aryl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Carboxylic acid ester - Trialkyltin - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organotin 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