Compound Identification
SMILES
OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)CSC3=CC(Cl)=C(Cl)C=C3Cl)C(=O)N12)\C=C\C[N+]1=CC=CC=C1
InChIKey
InChIKey=XTNPTJSYBIHIEL-LEFHANCXSA-O
Formula
C23H19Cl3N3O4S2
Mass
571.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Thiophenol ethers Chlorobenzenes Alkylarylthioethers Pyridinium derivatives 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiophenol ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Pyridine - Pyridinium - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available