Compound Identification
SMILES
C[C@H](OC(=O)C1=CC(N)=C(Cl)C=C1)C1=NC2=C(C(C)=C(C)S2)C(=O)N1
InChIKey
InChIKey=BHXDPWDWIMEQLZ-QMMMGPOBSA-N
Formula
C17H16ClN3O3S
Mass
377.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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 Aminobenzoic acids and derivatives Thienopyrimidines Aniline and substituted anilines Benzoyl derivatives Pyrimidones Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Thienopyrimidine - Aniline or substituted anilines - Benzoyl - Halobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Pyrimidine - Aryl halide - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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