Compound Identification
SMILES
OC(C(=O)NC1[C@@H]2SCC(Cl)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=VTCOSULCVNJQPR-IAYYMHMVSA-N
Formula
C22H18ClN3O7S
Mass
503.91
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 Benzyloxycarbonyls Phenylacetamides Nitrobenzenes Nitroaromatic compounds 1,3-thiazines Vinylogous halides Tertiary carboxylic acid amides Enoate esters Azetidines Secondary carboxylic acid amides Secondary alcohols Vinyl chlorides Azacyclic compounds Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols Organochlorides Organic zwitterions Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Azetidine - Secondary carboxylic acid amide - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Vinyl chloride - Vinyl halide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic oxide - Hydrocarbon derivative - 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