Compound Identification
SMILES
COC(=O)C1=CC(NC=C(C#N)C2=NC(=CS2)C2=CC(Cl)=C(Cl)C=C2)=C(C=C1)C(=O)OC
InChIKey
InChIKey=XLPKVWCPRDQSHD-UHFFFAOYSA-N
Formula
C22H15Cl2N3O4S
Mass
488.34
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
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Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 p-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Enamines Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - 1,2-dichlorobenzene - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Vinylogous amide - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available