(phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenyl-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-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-6-(1-hydroxy-2-oxo-2-phenyl-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-phenylethyl)-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-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(1-hydroxy-2-keto-2-phenyl-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC=CC=C3)O)Br)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC=CC=C3)O)Br)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H22BrNO5S/c1-22(2)17(19(28)30-13-14-9-5-3-6-10-14)25-20(29)23(24,21(25)31-22)18(27)16(26)15-11-7-4-8-12-15/h3-12,17-18,21,27H,13H2,1-2H3