Compound Identification
SMILES
CSSC(=NC1=CC(C(=O)OC(C(C)C)C(C)C)=C(Cl)C=C1)C1=C(C)SC=C1
InChIKey
InChIKey=KQGQWFSVSGQDNE-UHFFFAOYSA-N
Formula
C21H26ClNO2S3
Mass
456.07
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
2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Thiophenes Heteroaromatic compounds Carboxylic acid esters Organic disulfides Imidothioic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Organic disulfide - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imidothioic acid or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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