sodium (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate

Systemtic Name: sodium (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate Openeye Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate CAS Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-2-oxolanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate IUPAC Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate Traditional Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate pentahydrate Formula: C12H24NNaO10S MolecularWeight: 397.37443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-])O.O.O.O.O.O.[Na+]

Isomeric SMILES

C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O.O.O.O.O.O.[Na+]

InChI

InChI=1S/C12H15NO5S.Na.5H2O/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;;;;;;/h5-7,11,14H,2-4H2,1H3,(H,16,17);;5*1H2/q;+1;;;;;/p-1/t5-,6-,7+,11-;;;;;;/m1....../s1