3-(1,3-dioxan-5-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(1,3-dioxan-5-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(1,3-dioxan-5-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(1,3-dioxan-5-ylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(1,3-dioxan-5-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(1,3-dioxan-5-ylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H14NO6S2- MolecularWeight: 332.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3COCOC3)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3COCOC3)C(=O)[O-])O

InChI

InChI=1S/C12H15NO6S2/c1-5(14)7-9(15)13-8(11(16)17)12(21-10(7)13)20-6-2-18-4-19-3-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/p-1