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

Systemtic Name: sodium 3-tert-butylsulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-tert-butylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(tert-butylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-tert-butylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(tert-butylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H16NNaO4S2 MolecularWeight: 325.37951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2.Na/c1-5(14)6-8(15)13-7(10(16)17)11(18-9(6)13)19-12(2,3)4;/h5-6,9,14H,1-4H3,(H,16,17);/q;+1/p-1