Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C#N)C(Cl)=CC(C=C2SC(=NC3=CC=CC(=C3)C(O)=O)N(C)C2=O)=C1
InChIKey
InChIKey=DPQPOVQQLQKCNE-UHFFFAOYSA-N
Formula
C27H20ClN3O5S
Mass
533.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Benzonitriles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Benzonitrile - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available