Compound Identification
SMILES
CCO\C(=C/C1=CC=C(OCCN2CCSC3=CC=CC=C23)C=C1)C(=O)OC
InChIKey
InChIKey=BOSANISGKYPKCW-SILNSSARSA-N
Formula
C22H25NO4S
Mass
399.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Cinnamic acid esters Benzothiazines Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers Fatty acid esters 1,4-thiazines Methyl esters Enoate esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Enol-phenylpyruvate - Cinnamic acid ester - Cinnamic acid or derivatives - Benzothiazine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Dialkylarylamine - Aryl thioether - Alkylarylthioether - Fatty acid ester - Alkyl aryl ether - Para-thiazine - Fatty acyl - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available