Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)OCC(=O)NC1=C(C#N)C2=C(CCCCC2)S1
InChIKey
InChIKey=YZKBZLHGLBSQPS-UHFFFAOYSA-N
Formula
C21H22N2O5S
Mass
414.48
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 Cycloheptathiophenes Benzoic acid esters Phenoxy compounds N-arylamides Anisoles Benzoyl derivatives Alkyl aryl ethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Cycloheptathiophene - Dimethoxybenzene - Benzoate ester - M-dimethoxybenzene - Phenoxy compound - Phenol ether - N-arylamide - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - 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