Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)OCC(=O)NC1=C(C#N)C2=C(CC(CC2)C(C)(C)C)S1
InChIKey
InChIKey=BTDIIHIKPAMICX-UHFFFAOYSA-N
Formula
C23H26N2O4S
Mass
426.53
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
Benzoic acid esters Phenoxy compounds N-arylamides Methoxybenzenes 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 - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Cyanide - Organic oxide - Organonitrogen compound - 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