Compound Identification
SMILES
IC1=CC=CC=C1C(=O)OC1=C(N=CC=C1)C(=O)NC1=NC=CS1
InChIKey
InChIKey=SPHRAVWTCSZJDM-UHFFFAOYSA-N
Formula
C16H10IN3O3S
Mass
451.24
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
-
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 Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organoiodides Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Pyridine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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