Compound Identification
SMILES
CCOC1=C(OCC(O)=O)C=CC(C=C2SC3=NC(C)=C(C(N3C2=O)C2=CC=C(C=C2)C(C)C)C(=O)OCCOC)=C1
InChIKey
InChIKey=BSFVGIPASCRVLK-UHFFFAOYSA-N
Formula
C31H34N2O8S
Mass
594.68
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
Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Thiazoles Heteroaromatic compounds Enoate esters Lactams Isothioureas Azacyclic compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Carboxylic acid ester - Lactam - Isothiourea - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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