6-bromanyl-6-(2-butoxy-1-oxidanyl-2-oxidanylidene-ethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 6-bromanyl-6-(2-butoxy-1-oxidanyl-2-oxidanylidene-ethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-oxo-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-keto-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C14H19BrNO6S- MolecularWeight: 409.27276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])Br)O

Isomeric SMILES

CCCCOC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])Br)O

InChI

InChI=1S/C14H20BrNO6S/c1-4-5-6-22-10(20)8(17)14(15)11(21)16-7(9(18)19)13(2,3)23-12(14)16/h7-8,12,17H,4-6H2,1-3H3,(H,18,19)/p-1