6-(1-hydroxyethyl)-3-[(1-methylimidazol-2-yl)methylsulfanyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-[(1-methylimidazol-2-yl)methylsulfanyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[(1-methylimidazol-2-yl)methylsulfanyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[(1-methyl-2-imidazolyl)methylthio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[(1-methylimidazol-2-yl)methylsulfanyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-methylimidazol-2-yl)methylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H14N3O4S2- MolecularWeight: 340.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC3=NC=CN3C)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC3=NC=CN3C)C(=O)[O-])O

InChI

InChI=1S/C13H15N3O4S2/c1-6(17)8-10(18)16-9(12(19)20)13(22-11(8)16)21-5-7-14-3-4-15(7)2/h3-4,6,8,11,17H,5H2,1-2H3,(H,19,20)/p-1