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

Systemtic Name: (phenylmethyl) 6-(azidomethyl)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(azidomethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(azidomethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(azidomethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(azidomethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(CN=[N+]=[N-])Br)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(CN=[N+]=[N-])Br)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C16H17BrN4O3S/c1-15(2)11(12(22)24-8-10-6-4-3-5-7-10)21-13(23)16(17,9-19-20-18)14(21)25-15/h3-7,11,14H,8-9H2,1-2H3