sodium 7-oxidanylidene-6-(1-oxidanyl-3-phenyl-propyl)-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 7-oxidanylidene-6-(1-oxidanyl-3-phenyl-propyl)-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxy-3-phenyl-propyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxy-3-phenylpropyl)-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxy-3-phenylpropyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxy-3-phenyl-propyl)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H20NNaO4S MolecularWeight: 417.45327

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SC3=CC=CC=C3)C(=O)[O-])C(CCC4=CC=CC=C4)O.[Na+]

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SC3=CC=CC=C3)C(=O)[O-])C(CCC4=CC=CC=C4)O.[Na+]

InChI

InChI=1S/C22H21NO4S.Na/c24-17(12-11-14-7-3-1-4-8-14)19-16-13-18(28-15-9-5-2-6-10-15)20(22(26)27)23(16)21(19)25;/h1-10,16-17,19,24H,11-13H2,(H,26,27);/q;+1/p-1