Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC(OCC)=C(OCC3=CC=C(Cl)C=C3)C=C2)C(=O)N1CC
InChIKey
InChIKey=UMXHNJROLOCJBL-UHFFFAOYSA-N
Formula
C30H29ClN2O5S
Mass
565.08
Taxonomic Classification
Taxonomy Tree
-
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
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazolidines Carboxylic acid esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidine - Carboxylic acid ester - Isothiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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