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

Systemtic Name: (phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(benzyloxycarbonylaminomethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylaminomethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C24H25BrN2O5S MolecularWeight: 533.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(CNC(=O)OCC3=CC=CC=C3)Br)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(CNC(=O)OCC3=CC=CC=C3)Br)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H25BrN2O5S/c1-23(2)18(19(28)31-13-16-9-5-3-6-10-16)27-20(29)24(25,21(27)33-23)15-26-22(30)32-14-17-11-7-4-8-12-17/h3-12,18,21H,13-15H2,1-2H3,(H,26,30)