(diphenylmethyl) 6-(bromomethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 6-(bromomethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 6-(bromomethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(bromomethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 6-(bromomethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(bromomethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C22H22BrNO3S MolecularWeight: 460.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22BrNO3S/c1-22(2)18(24-19(25)16(13-23)20(24)28-22)21(26)27-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3