Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)OCC(=O)NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=WOLSJYNYAQVQMN-UHFFFAOYSA-N
Formula
C20H20N2O5S
Mass
400.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
Dimethoxybenzenes Benzoic acid esters Phenoxy compounds N-arylamides Benzoyl derivatives Anisoles Alkyl aryl ethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available