Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OCC1=CSC(NC2=CC=C(C)C=C2)=N1
InChIKey
InChIKey=RHLIEGFSAYDTBA-UHFFFAOYSA-N
Formula
C20H18N2O4S
Mass
382.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 p-Phthalate esters
-
Level 6
Phthalate esters
-
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
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Benzoic acid esters Benzoyl derivatives Aniline and substituted anilines Toluenes 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Aniline or substituted anilines - Toluene - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Methyl ester - Thiazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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