Basic information
- Standard SMILES
CSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)[O-].[Na+]- InChIKey
LTLYVXBNOSGFDP-UHFFFAOYSA-M- Molecular formula
- C16H14NNaO3S
- Average molar mass
- 323.3 g/mol
Names & identifiers
- Preferred name
- sodium 5-benzoyl-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]-pyrrole-1-carboxylate
- IUPAC
- sodium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
Names & synonyms
SCHEMBL10815660LTLYVXBNOSGFDP-UHFFFAOYSA-Msodium 5-benzoyl-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]-pyrrole-1-carboxylate
Database identifiers
- PubChem CID
- 23711368
Properties
Computed structural properties
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
1 records
Compound notes
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