Compound Identification
SMILES
CN1CCSC2=C1C=C(C=C2)C(=O)CC([O-])=O
InChIKey
InChIKey=DVGWHOOFMMBPIH-UHFFFAOYSA-M
Formula
C12H12NO3S
Mass
250.29
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
Dialkylarylamines Aryl alkyl ketones Beta-keto acids and derivatives Alkylarylthioethers Benzenoids 1,4-thiazines 1,3-dicarbonyl compounds Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazine - Aryl thioether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl alkyl ketone - Aryl ketone - Beta-keto acid - Alkylarylthioether - Para-thiazine - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Ketone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic anion - 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