Basic information
- Standard SMILES
C=C1CS(=O)[C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2C1C(=O)OC- InChIKey
KWNKLOIQBJJEKH-VFMUOLFISA-N- Molecular formula
- C17H14N2O6S
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- Methyl 7-phthalimido-3-methylenecepham-4-carboxylate 1-oxide
- IUPAC
- methyl (6R)-7-(1,3-dioxoisoindol-2-yl)-3-methylidene-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Names & synonyms
SCHEMBL6493012KWNKLOIQBJJEKH-VFMUOLFISA-Nmethyl 7-phthalimido-3-methylenecepham-4-carboxylate 1-oxidemethyl 7-phthalimido-3-methylenecepham-4-carboxylate-1-oxide
Database identifiers
- PubChem CID
- 69799987
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 740
Related reactions
10 records
Compound notes
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