Compound Identification
SMILES
CC(=C)C(=O)CCOC(=O)C1=CC=C(C=C1)N=C=S
InChIKey
InChIKey=BLQYJKNOHBESHA-UHFFFAOYSA-N
Formula
C14H13NO3S
Mass
275.32
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
Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Ketones Isothiocyanates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxylic acid ester - Isothiocyanate - Ketone - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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