(diphenylmethyl) 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: (diphenylmethyl) 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: benzhydryl 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 (diphenylmethyl) ester IUPAC Name: benzhydryl 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 benzhydryl ester Formula: C27H25BrN2O4S MolecularWeight: 553.4674

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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)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)Br)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25BrN2O4S/c1-26(2)21(23(32)34-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18)30-24(33)27(28,25(30)35-26)22(31)19-14-9-15-29-16-19/h3-16,20-22,25,31H,1-2H3