Compound Identification
SMILES
CCN=C(CC1=CC=CC=C1C(O)=O)C(=S)C(=O)OC(C)(C)C
InChIKey
InChIKey=BIJUJJHUOWVEPG-UHFFFAOYSA-N
Formula
C17H21NO4S
Mass
335.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
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 acids
Alternative Parents
Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Secondary ketimines Azomethines Thioketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Azomethine - Secondary ketimine - Carboxylic acid ester - Ketimine - Thioketone - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Imine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available