6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-propan-2-yloxy-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-propan-2-yloxy-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-bromo-6-(1-hydroxy-2-isopropoxy-2-oxo-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-bromo-6-(1-hydroxy-2-oxo-2-propan-2-yloxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-bromo-6-(1-hydroxy-2-oxo-2-propan-2-yloxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-bromo-6-(1-hydroxy-2-isopropoxy-2-keto-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H18BrNO6S MolecularWeight: 396.25412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)Br)O

Isomeric SMILES

CC(C)OC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)Br)O

InChI

InChI=1S/C13H18BrNO6S/c1-5(2)21-9(19)7(16)13(14)10(20)15-6(8(17)18)12(3,4)22-11(13)15/h5-7,11,16H,1-4H3,(H,17,18)