Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(Cl)CS[C@H]3C(NC(=O)C(O)C4=CC=CC=C4)C(=O)N23)C=C1
InChIKey
InChIKey=PAOJMOKNQRCLEW-FQVRHNBASA-N
Formula
C23H21ClN2O6S
Mass
488.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
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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 Benzyloxycarbonyls Phenylacetamides Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Vinylogous halides Secondary carboxylic acid amides Azetidines Secondary alcohols Chloroalkenes Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Vinyl chlorides Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Meta-thiazine - Monocyclic benzene moiety - Vinylogous halide - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Vinyl chloride - Hemithioaminal - Thioether - Vinyl halide - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic oxide - 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