Compound Identification
SMILES
[O-]C(=O)C1=C(CS[C@@H]2[C@H](NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)N12)\C=C\C[N+]1=CC=CC=C1
InChIKey
InChIKey=KSPATBNVIRHIQD-FTAHBHFESA-N
Formula
C24H20N4O4S3
Mass
524.63
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 Benzothiazoles Alkylarylthioethers 1,3-thiazines Pyridinium derivatives Benzenoids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1,3-benzothiazole - Aryl thioether - Alkylarylthioether - Meta-thiazine - Pyridine - Benzenoid - Pyridinium - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic zwitterion - Organic salt - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - 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