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

Systemtic Name: sodium 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H14NNaO4S MolecularWeight: 327.33073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CC=CC=C3)O.[Na+]

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CC=CC=C3)O.[Na+]

InChI

InChI=1S/C15H15NO4S.Na/c1-8(17)12-10-7-11(21-9-5-3-2-4-6-9)13(15(19)20)16(10)14(12)18;/h2-6,8,10,12,17H,7H2,1H3,(H,19,20);/q;+1/p-1