sodium 3,3-dimethyl-6-[2-[2-morpholin-4-ylethyl-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-6-[2-[2-morpholin-4-ylethyl-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-[benzyl(2-morpholinoethyl)amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[1-hydroxy-2-[2-(4-morpholinyl)ethyl-(phenylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-[benzyl(2-morpholin-4-ylethyl)amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-[benzyl(2-morpholinoethyl)amino]-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C23H30N3NaO6S MolecularWeight: 499.55557

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CCN3CCOCC3)CC4=CC=CC=C4)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CCN3CCOCC3)CC4=CC=CC=C4)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H31N3O6S.Na/c1-23(2)18(22(30)31)26-19(28)16(21(26)33-23)17(27)20(29)25(14-15-6-4-3-5-7-15)9-8-24-10-12-32-13-11-24;/h3-7,16-18,21,27H,8-14H2,1-2H3,(H,30,31);/q;+1/p-1