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

Systemtic Name: magnesium 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: magnesium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: magnesium 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: magnesium 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: magnesium 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C32H28MgN2O6S2 MolecularWeight: 625.00952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Mg+2]

Isomeric SMILES

CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.CSC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Mg+2]

InChI

InChI=1S/2C16H15NO3S.Mg/c2*1-21-13-9-12-11(16(19)20)7-8-17(12)14(13)15(18)10-5-3-2-4-6-10;/h2*2-6,9,11H,7-8H2,1H3,(H,19,20);/q;;+2/p-2