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

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[1-oxidanyl-2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-(N-benzylanilino)-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-oxo-2-(N-(phenylmethyl)anilino)ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-(N-benzylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-(N-benzylanilino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C23H23N2NaO5S MolecularWeight: 462.49389

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H24N2O5S.Na/c1-23(2)18(22(29)30)25-19(27)16(21(25)31-23)17(26)20(28)24(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12,16-18,21,26H,13H2,1-2H3,(H,29,30);/q;+1/p-1