Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)OC1=C(C=NNC(=S)NC2=CC(Cl)=CC=C2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=NXZCMOVPNVIIKJ-UHFFFAOYSA-N
Formula
C27H22ClN3O4S
Mass
520.0
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
P-methoxybenzoic acids and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives Phenol esters Naphthalenes Benzoic acid esters Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Thiosemicarbazones Aryl chlorides Carboxylic acid esters Hydrocarbon derivatives Organic oxides Organochlorides Organosulfur compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Naphthalene - Benzoate ester - Phenol ester - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Benzoyl - Anisole - Phenol ether - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Thiosemicarbazone - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available