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-RSYJBZMQSA-N
Formula
C17H15NO6S
Mass
361.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 2-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Phenoxyacetic acid derivatives Phenoxy compounds Methoxybenzenes Anisoles Thiazolidinediones Alkyl aryl ethers Dicarboximides Thiocarbamic acid derivatives Tertiary amines Amino acids Acetylides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
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 - Amino acid - Tertiary amine - Thiocarbamic acid derivative - Acetylide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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