sodium 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: sodium 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: sodium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: sodium 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: sodium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: sodium 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C16H14NNaO3S MolecularWeight: 323.34203

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H15NO3S.Na/c1-21-13-9-12-11(16(19)20)7-8-17(12)14(13)15(18)10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3,(H,19,20);/q;+1/p-1