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

Systemtic Name: sodium (2S,5R,6R)-6-[(5-bromanylfuran-2-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[(5-bromofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6R)-6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6R)-6-[(5-bromofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-6-[(5-bromo-2-furoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C13H12BrN2NaO5S MolecularWeight: 411.20355

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=C(O3)Br)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=C(O3)Br)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C13H13BrN2O5S.Na/c1-13(2)8(12(19)20)16-10(18)7(11(16)22-13)15-9(17)5-3-4-6(14)21-5;/h3-4,7-8,11H,1-2H3,(H,15,17)(H,19,20);/q;+1/p-1/t7-,8+,11-;/m1./s1