Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2SC(COC(=O)C3=CC4=CC=CC=C4C=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=UFIUCRBXZKYMHH-XODWSEBVSA-N
Formula
C20H17NO6S
Mass
399.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
-
Subclass
Naphthalenecarboxylic acids and derivatives
-
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
Alternative Parents
Alpha amino acids and derivatives Thiazolecarboxylic acids and derivatives Penems Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Thioenol ethers Tertiary amines Secondary alcohols Amino acids Carboxylic acid esters Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Amino acid - Secondary alcohol - Tertiary amine - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organonitrogen compound - Organic oxide - Alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available