Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)OC1=C(SC2=C1C(=O)N(C(=S)N2C1=CC=CC=C1)C1=CC=CC=C1)C#N
InChIKey
InChIKey=QCRYBAXUULQSSN-UHFFFAOYSA-N
Formula
C27H17N3O4S2
Mass
511.57
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 Thienopyrimidines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Pyrimidones Pyrimidinethiones Vinylogous amides Thiophenes Heteroaromatic compounds Thioureas Carboxylic acid esters Lactams Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Thienopyrimidine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Pyrimidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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