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

Systemtic Name: (phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-6-[1-hydroxy-2-oxo-2-(1-piperidyl)ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-[1-hydroxy-2-oxo-2-(1-piperidinyl)ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-6-(1-hydroxy-2-oxo-2-piperidin-1-ylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(1-hydroxy-2-keto-2-piperidino-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C22H27BrN2O5S MolecularWeight: 511.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)N3CCCCC3)O)Br)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)N3CCCCC3)O)Br)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C22H27BrN2O5S/c1-21(2)15(18(28)30-13-14-9-5-3-6-10-14)25-19(29)22(23,20(25)31-21)16(26)17(27)24-11-7-4-8-12-24/h3,5-6,9-10,15-16,20,26H,4,7-8,11-13H2,1-2H3