6-bromanyl-3,3-dimethyl-7-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-bromanyl-3,3-dimethyl-7-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 2-(2-benzyloxy-1-hydroxy-2-oxo-ethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-bromo-2-(1-hydroxy-2-oxo-2-phenylmethoxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-bromo-2-(1-hydroxy-2-oxo-2-phenylmethoxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 2-(2-benzoxy-1-hydroxy-2-keto-ethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)Br)(C(C(=O)OCC3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)Br)(C(C(=O)OCC3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C17H18BrNO6S/c1-16(2)17(15(23)24,19-12(21)10(18)13(19)26-16)11(20)14(22)25-8-9-6-4-3-5-7-9/h3-7,10-11,13,20H,8H2,1-2H3,(H,23,24)