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

Systemtic Name: sodium (5R,6S)-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-(3-methyl-2-isoxazolin-5-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H15N2NaO5 MolecularWeight: 302.25837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NOC(C1)C2=C(N3[C@H](C2)[C@H](C3=O)[C@@H](C)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H16N2O5.Na/c1-5-3-9(20-14-5)7-4-8-10(6(2)16)12(17)15(8)11(7)13(18)19;/h6,8-10,16H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1/t6-,8-,9?,10-;/m1./s1