Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N=C1SC(CC(=O)N1CC1=CC2=C(OCO2)C=C1)C(=O)NCCC1=CC=CC=C1
InChIKey
InChIKey=PBRUBWJHNSWEJD-UHFFFAOYSA-N
Formula
C30H29N3O6S
Mass
559.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzodioxoles Benzoyl derivatives Thiazinanes Secondary carboxylic acid amides Carboxylic acid esters Isothioureas Acetals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzodioxole - Benzoyl - 1,3-thiazinane - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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