Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC=C(C#N)C2=NC(=CS2)C2=CC(C)=C(C)C=C2)=C1)C(=O)OC
InChIKey
InChIKey=FPFNZJPZKOCJBO-UHFFFAOYSA-N
Formula
C24H21N3O4S
Mass
447.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 m-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
-
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
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Benzoic acid esters Aminobenzoic acids and derivatives o-Xylenes Benzoyl derivatives Aniline and substituted anilines 2,4-disubstituted thiazoles Methyl esters Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - O-xylene - Xylene - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Enamine - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available