Structure Information
Structure

Compound Identification

SMILES

COC1=C(O[C@H](C)C([O-])=O)C=CC(\C=C2\SC(=O)N(CC#C)C2=O)=C1

InChIKey

InChIKey=ITTMTRQYBWGPGE-GMROUXNLSA-M

Formula

C17H14NO6S

Mass

360.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

2-phenoxypropionic acids

Intermediate Tree Nodes

Not available

Direct Parent

2-phenoxypropionic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Thiazolidine - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Thiocarbamic acid derivative - Acetylide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.

External Descriptors

Not available

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