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

Systemtic Name: 6-bromanyl-3,3-dimethyl-6-(3-methyl-1-oxidanyl-2-oxidanylidene-3-phenoxy-butyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-bromo-6-(1-hydroxy-3-methyl-2-oxo-3-phenoxy-butyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-(1-hydroxy-3-methyl-2-oxo-3-phenoxybutyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-bromo-6-(1-hydroxy-3-methyl-2-oxo-3-phenoxybutyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(1-hydroxy-2-keto-3-methyl-3-phenoxy-butyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C19H21BrNO6S- MolecularWeight: 471.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C(C)(C)OC3=CC=CC=C3)O)Br)C(=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C(C)(C)OC3=CC=CC=C3)O)Br)C(=O)[O-])C

InChI

InChI=1S/C19H22BrNO6S/c1-17(2,27-10-8-6-5-7-9-10)12(22)13(23)19(20)15(26)21-11(14(24)25)18(3,4)28-16(19)21/h5-9,11,13,16,23H,1-4H3,(H,24,25)/p-1