(phenylmethyl) 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-carboxylate

Systemtic Name: (phenylmethyl) 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-carboxylate Openeye Name: benzyl 6-bromo-6-(1-hydroxy-2-isopropoxy-2-oxo-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 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 (phenylmethyl) ester IUPAC Name: benzyl 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-carboxylate 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 benzyl ester Formula: C20H24BrNO6S MolecularWeight: 486.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

Isomeric SMILES

CC(C)OC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C20H24BrNO6S/c1-11(2)28-16(25)14(23)20(21)17(26)22-13(19(3,4)29-18(20)22)15(24)27-10-12-8-6-5-7-9-12/h5-9,11,13-14,18,23H,10H2,1-4H3