Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC(OC)=C(OCC([O-])=O)C=C2)C1=O
InChIKey
InChIKey=MZEGRCMHVMPCJT-UHFFFAOYSA-M
Formula
C21H17N2O7S
Mass
441.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
N-phenylthioureas Thiobarbituric acid derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Diazinanes Thioureas Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - N-phenylthiourea - Thiobarbiturate - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - 1,3-diazinane - Thiourea - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available