potassium 5-benzoyl-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate

HCID 23711367
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Basic information

Standard SMILES
CSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)[O-].[K+]
InChIKey
RWGBPKAGXZJOPW-UHFFFAOYSA-M
Molecular formula
C16H14KNO3S
Average molar mass
339.5 g/mol
Monoisotopic mass
339.03314597

Names & identifiers

Preferred name
potassium 5-benzoyl-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate
IUPAC
potassium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Names & synonyms

SCHEMBL10809161RWGBPKAGXZJOPW-UHFFFAOYSA-Mpotassium 5-benzoyl-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate

Database identifiers

PubChem CID
23711367

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

Related reactions

1 records
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Compound notes

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