Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)N=C1SC(=CC2=CC(OC)=C(OCC#C)C=C2)C(=O)N1C
InChIKey
InChIKey=CJVFLIWDFMSQNF-UHFFFAOYSA-N
Formula
C23H20N2O5S
Mass
436.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Methyl esters Thiazolidines Isothioureas Monocarboxylic acids and derivatives Acetylides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidine - Methyl ester - Carboxylic acid ester - Isothiourea - Organoheterocyclic compound - Organic 1,3-dipolar compound - Acetylide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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