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

Systemtic Name: (phenylmethyl) 6-bromanyl-6-(2-butoxy-1-oxidanyl-2-oxidanylidene-ethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-6-(2-butoxy-1-hydroxy-2-oxo-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-6-(2-butoxy-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(2-butoxy-1-hydroxy-2-keto-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H26BrNO6S MolecularWeight: 500.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

Isomeric SMILES

CCCCOC(=O)C(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C21H26BrNO6S/c1-4-5-11-28-17(26)15(24)21(22)18(27)23-14(20(2,3)30-19(21)23)16(25)29-12-13-9-7-6-8-10-13/h6-10,14-15,19,24H,4-5,11-12H2,1-3H3