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

Systemtic Name: sodium (2S,5R,6S)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6S)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C8H9BrNNaO3S MolecularWeight: 302.12073

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)Br)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@H](C2=O)Br)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C8H10BrNO3S.Na/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;/h3-4,6H,1-2H3,(H,12,13);/q;+1/p-1/t3-,4-,6+;/m0./s1