Compound Identification
SMILES
COC1=C(OCC(O)=O)C=CC(\C=N\C2=C(C#N)C3=C(CCC3)S2)=C1
InChIKey
InChIKey=XBGCOKHJNUDFNA-AWQFTUOYSA-N
Formula
C18H16N2O4S
Mass
356.4
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
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiophenes Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Shiff base - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Aldimine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Imine - Organic oxide - 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