Compound Identification
SMILES
COC(=CC1=C(Cl)C=C(C=C1Cl)C(=O)NC1=NC(=CS1)C1=C(OC)C(COCCC(C)(C)C)=CC=C1)C(O)=O
InChIKey
InChIKey=JRWXSUYUBPSGES-UHFFFAOYSA-N
Formula
C28H30Cl2N2O6S
Mass
593.52
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 acids 3-halobenzoic acids and derivatives Benzamides Benzylethers Anisoles Phenoxy compounds Benzoyl derivatives Dichlorobenzenes Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Cinnamic acid or derivatives - Enol-phenylpyruvate - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzylether - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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