Compound Identification
SMILES
CC1=CC(=O)\C(C(=O)O1)=C1\CC(SC2=CC=CC=C2N1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=LNPRNDGZFDTEQO-HMMYKYKNSA-N
Formula
C21H16N2O5S
Mass
408.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Alkylarylthioethers Dihydropyranones Vinylogous amides Enoate esters Enol esters Amino acids and derivatives Cyclic ketones Lactones Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Dihydropyranone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Enol ester - Vinylogous amide - Lactone - C-nitro compound - Organic nitro compound - Cyclic ketone - Ketone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Enamine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Thioether - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aldehyde - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available