Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=NN=C(O1)SCC#CCOC(=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=KYJDGLMHUQABPA-UHFFFAOYSA-N
Formula
C21H17ClN2O4S
Mass
428.89
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 acid esters
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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 acid esters
Alternative Parents
3-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Phenol ether - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxadiazole - 1,3,4-oxadiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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