Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=C(OCC#C)C(OC)=CC=C2)C(=O)N1C
InChIKey
InChIKey=RITHOPQSRNFUSL-UHFFFAOYSA-N
Formula
C23H20N2O5S
Mass
436.48
Taxonomic Classification
Taxonomy Tree
-
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
Methoxyanilines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fatty acid esters Alkyl aryl ethers N-acyl amines Thiazolidines Methyl esters Enoate esters Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Haloacetylenes and derivatives Carboximidamides Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Methoxyaniline - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Fatty acid ester - Alkyl aryl ether - Fatty acyl - N-acyl-amine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiazolidine - Isothiourea - Carboxylic acid ester - Haloacetylene or derivatives - Acetylide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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