Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)N=C(S2)N1CCCC1
InChIKey
InChIKey=ZPBYMYRPKPYNRX-UHFFFAOYSA-N
Formula
C18H15ClN2O2S
Mass
358.84
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
-
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 Phenol esters Benzothiazoles Benzoyl derivatives Dialkylarylamines Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Pyrrolidines Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Phenol ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Dialkylarylamine - Halobenzene - Chlorobenzene - 1,3-thiazol-2-amine - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Pyrrolidine - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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