Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)NCCSCC2=CC=CC=C2)=C1)C(=O)OC
InChIKey
InChIKey=YGURMGOTZRMKBR-UHFFFAOYSA-N
Formula
C20H22N2O5S
Mass
402.47
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 m-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
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives N-phenylureas Benzoic acid esters Benzoyl derivatives Methyl esters Ureas Sulfenyl compounds Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - N-phenylurea - Benzoyl - Methyl ester - Carboxylic acid ester - Urea - Carboxylic acid derivative - Dialkylthioether - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic 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