Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCC3=C(C2)SC(NC(=O)C2=C(Cl)C=CC(OCCN)=C2)=C3C#N)C=C1
InChIKey
InChIKey=QDEAPNHQTJFXMN-UHFFFAOYSA-N
Formula
C26H25ClN4O4S
Mass
525.02
Taxonomic Classification
Taxonomy Tree
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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
2-halobenzoic acids and derivatives Benzamides Thienopyridines Benzoyl derivatives Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiophenes Vinylogous halides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Nitriles Azacyclic compounds Monoalkylamines Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Thienopyridine - Benzamide - Phenol ether - Phenylmethylamine - Benzylamine - Phenoxy compound - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Vinylogous halide - Methyl ester - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Primary aliphatic amine - Cyanide - 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