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

Systemtic Name: 6-(1-azanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-(1-amino-2-benzyloxy-2-oxo-ethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-amino-2-oxo-2-phenylmethoxyethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-(1-amino-2-oxo-2-phenylmethoxyethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-amino-2-benzoxy-2-keto-ethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C17H18BrN2O5S- MolecularWeight: 442.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)OCC3=CC=CC=C3)N)Br)C(=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)OCC3=CC=CC=C3)N)Br)C(=O)[O-])C

InChI

InChI=1S/C17H19BrN2O5S/c1-16(2)11(12(21)22)20-14(24)17(18,15(20)26-16)10(19)13(23)25-8-9-6-4-3-5-7-9/h3-7,10-11,15H,8,19H2,1-2H3,(H,21,22)/p-1