Compound Identification
SMILES
COC(=O)C1=C(C)NC2=C(C1C1=CC(=CC=C1)[N+]([O-])=O)S(=O)(=O)CCC1=CC=CC=C21
InChIKey
InChIKey=AOCPWTGECDEBEE-UHFFFAOYSA-N
Formula
C22H20N2O6S
Mass
440.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Dihydropyridines Vinylogous amides Sulfones Enoate esters Methyl esters Azacyclic compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Sulfone - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available