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

Systemtic Name: (phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(3-oxidanylidenepropoxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-3,3-dimethyl-7-oxo-6-(3-oxopropoxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-3,3-dimethyl-7-oxo-6-(3-oxopropoxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-3,3-dimethyl-7-oxo-6-(3-oxopropoxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-7-keto-6-(3-ketopropoxy)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(OCCC=O)Br)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(OCCC=O)Br)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H20BrNO5S/c1-17(2)13(14(22)24-11-12-7-4-3-5-8-12)20-15(23)18(19,16(20)26-17)25-10-6-9-21/h3-5,7-9,13,16H,6,10-11H2,1-2H3