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

Systemtic Name: (phenylmethyl) 6-(1-azidoethyl)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(1-azidoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-azidoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-azidoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-azidoethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)N=[N+]=[N-]

Isomeric SMILES

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)N=[N+]=[N-]

InChI

InChI=1S/C17H19BrN4O3S/c1-10(20-21-19)17(18)14(24)22-12(16(2,3)26-15(17)22)13(23)25-9-11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3