Compound Identification
SMILES
CC1=CC2=C(OCCN2C(=O)CN2C=NC3=C(SC=C3C3=CC=C(Cl)C=C3)C2=O)C=C1
InChIKey
InChIKey=MKQCBRBZCCJXFM-UHFFFAOYSA-N
Formula
C23H18ClN3O3S
Mass
451.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazines
Alternative Parents
Benzomorpholines Thienopyrimidines Alkyl aryl ethers Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Lactams Amino acids and derivatives Tertiary amines Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzomorpholine - Benzoxazine - Thienopyrimidine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Oxazinane - Pyrimidine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors
Not available