Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)OCC(=O)N1N=C2C(CCCC2=CC2=CC=CS2)C1C1=CC=CS1
InChIKey
InChIKey=VTJJAESFCFDFCQ-UHFFFAOYSA-N
Formula
C25H21ClN2O3S2
Mass
497.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Thiophenes Pyrazolines Heteroaromatic compounds N-alkylated hydrazones Carboxylic acid esters Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Pyrazoline - Carboxylic acid ester - N-alkylated hydrazone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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