Compound Identification
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC2=C(C=C1)C1=C(CCO2)SC(N)=N1
InChIKey
InChIKey=BLPKWFFYYDQBMU-NSHDSACASA-N
Formula
C17H18N4O4S
Mass
374.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Alkyl aryl ethers Oxazolidinones Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Carbamate esters Acetamides Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - 1,3-thiazol-2-amine - Benzenoid - Oxazolidinone - Azole - Heteroaromatic compound - Oxazolidine - Acetamide - Carbamic acid ester - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available