Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N=C1SC(CC(=O)N1CC1=CC2=C(OCO2)C=C1)C(=O)NC1=CC=C(I)C=C1
InChIKey
InChIKey=QBJCRVDKKLCDPD-UHFFFAOYSA-N
Formula
C28H24IN3O6S
Mass
657.48
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
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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
Anilides Benzodioxoles Benzoyl derivatives N-arylamides Iodobenzenes Thiazinanes Aryl iodides Secondary carboxylic acid amides Carboxylic acid esters Isothioureas Acetals Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organoiodides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzodioxole - Anilide - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - 1,3-thiazinane - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - 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