(2S,5R,6S)-6-bromanyl-3,3-dimethyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (2S,5R,6S)-6-bromanyl-3,3-dimethyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C10H13BrNO4S- MolecularWeight: 323.18352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])Br)O

Isomeric SMILES

C[C@H]([C@]1([C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Br)O

InChI

InChI=1S/C10H14BrNO4S/c1-4(13)10(11)7(16)12-5(6(14)15)9(2,3)17-8(10)12/h4-5,8,13H,1-3H3,(H,14,15)/p-1/t4-,5+,8-,10+/m1/s1