Compound Identification
SMILES
Cl.COC(=O)C1=CC=C(CN2CCC3=C(C2)SC(NC(=O)C2=C(Cl)C=CC(OCCN=C(N)N)=C2)=C3C#N)C=C1
InChIKey
InChIKey=CVRXLWHEBNMPRC-UHFFFAOYSA-N
Formula
C27H28Cl2N6O4S
Mass
603.52
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 Guanidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Nitriles Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Thienopyridine - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Methyl ester - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Guanidine - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Amine - Hydrochloride - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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