sodium 6-(1-hydroxyethyl)-3-(4-methylsulfinylphenyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 6-(1-hydroxyethyl)-3-(4-methylsulfinylphenyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-3-(4-methylsulfinylphenyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-3-(4-methylsulfinylphenyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-3-(4-methylsulfinylphenyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-7-keto-3-(4-methylsulfinylphenyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H14NNaO5S2 MolecularWeight: 375.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3=CC=C(C=C3)S(=O)C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3=CC=C(C=C3)S(=O)C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H15NO5S2.Na/c1-7(17)10-13(18)16-11(15(19)20)12(22-14(10)16)8-3-5-9(6-4-8)23(2)21;/h3-7,10,14,17H,1-2H3,(H,19,20);/q;+1/p-1