Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=NC(=CC3=CC4=C(OCO4)C=C3)C(=O)N2C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=BOCRWAHVRITSDL-UHFFFAOYSA-N
Formula
C27H22N2O5S
Mass
486.54
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
Alpha amino acids and derivatives Benzodioxoles Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Toluenes Imidazolinones Methyl esters Isothioureas Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - Benzodioxole - Benzoyl - Imidazolyl carboxylic acid derivative - Toluene - Imidazolinone - 2-imidazoline - Methyl ester - Carboxylic acid ester - Isothiourea - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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