Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CSC(NC2=CC=C(C=C2)C([O-])=O)=N1
InChIKey
InChIKey=CUIAGSJVJLOHAN-UHFFFAOYSA-M
Formula
C17H13N2O3S
Mass
325.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Aniline and substituted anilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid salts Amino acids Carboxylic acids Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Anisole - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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