sodium 3-(4-methylsulfinylphenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(4-methylsulfinylphenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(4-methylsulfinylphenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(4-methylsulfinylphenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(4-methylsulfinylphenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 7-keto-3-(4-methylsulfinylphenoxy)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H10NNaO5S2 MolecularWeight: 347.34197

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)OC2=C(N3C(S2)CC3=O)C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)OC2=C(N3C(S2)CC3=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H11NO5S2.Na/c1-21(18)8-4-2-7(3-5-8)19-13-11(12(16)17)14-9(15)6-10(14)20-13;/h2-5,10H,6H2,1H3,(H,16,17);/q;+1/p-1