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

Systemtic Name: (phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(pyridin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-6-[hydroxy(3-pyridyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-[hydroxy(3-pyridinyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-6-[hydroxy(pyridin-3-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-[hydroxy(3-pyridyl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)Br)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)Br)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H21BrN2O4S/c1-20(2)15(17(26)28-12-13-7-4-3-5-8-13)24-18(27)21(22,19(24)29-20)16(25)14-9-6-10-23-11-14/h3-11,15-16,19,25H,12H2,1-2H3