Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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