Compound Identification
SMILES
CCC1=CC(C(=O)C2=CC=CC3=CC=CC=C23)=C(NC(=O)CSCC(O)=O)S1
InChIKey
InChIKey=ZWUBGBYQAXUYFC-UHFFFAOYSA-N
Formula
C21H19NO4S2
Mass
413.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids and derivatives
Alternative Parents
3-aroylthiophenes Thiophene carboxylic acids and derivatives N-arylamides Aryl ketones 2,3,5-trisubstituted thiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalenecarboxylic acid or derivatives - 3-aroylthiophene - Thiophene carboxylic acid or derivatives - N-arylamide - 2,3,5-trisubstituted thiophene - Aryl ketone - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Dialkylthioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available