Compound Identification
SMILES
[Na+].CCOC(CC1=CC2=C(C=C1)C=C(OCCN1CCSC3=CC=CC=C13)C=C2)C([O-])=O
InChIKey
InChIKey=CDQMTLGERMWLRW-UHFFFAOYSA-M
Formula
C25H26NNaO4S
Mass
459.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazines
Alternative Parents
Naphthalenes Phenol ethers Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers 1,4-thiazines Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkyl ethers Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazine - Naphthalene - Aryl thioether - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Alkylarylthioether - Para-thiazine - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Thioether - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available