Compound Identification
SMILES
COC(=O)C1=C(C=C(Cl)C=C1)C1=CC=C(O1)C=C(SC1=NNC(C)=N1)C(O)=O
InChIKey
InChIKey=CJJQEHUXTVKPRD-UHFFFAOYSA-N
Formula
C18H14ClN3O5S
Mass
419.84
Taxonomic Classification
Taxonomy Tree
-
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 acid esters
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Subclass
Benzoic acids and derivatives
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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 acid esters
Alternative Parents
4-halobenzoic acids and derivatives Aryl thioethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Triazoles Methyl esters Heteroaromatic compounds Furans Thioenol ethers Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aryl thioether - Chlorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Azole - 1,2,4-triazole - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available