Compound Identification
SMILES
CCCC1=C(N=C(NC2=CC=C(C=C2)C(O)=O)S1)C1=CC(C)=C(C)C=C1
InChIKey
InChIKey=RHUGQXSXQYNXQB-UHFFFAOYSA-N
Formula
C21H22N2O2S
Mass
366.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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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
o-Xylenes Benzoyl derivatives Aniline and substituted anilines 2,4,5-trisubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - O-xylene - Xylene - Aniline or substituted anilines - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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