Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)O[C@@H]1C[C@@H](CCCC=C)O[C@](O)(C1)[C@@H]1CSC(=O)N1
InChIKey
InChIKey=KAKMHRZTGSQDNN-DCXXXQMHSA-N
Formula
C21H27NO6S
Mass
421.51
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
Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Oxanes Thiazolidines Thiocarbamic acid derivatives Hemiacetals Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Oxane - Thiazolidine - Carboxylic acid ester - Hemiacetal - Thiocarbamic acid derivative - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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