sodium 3,3-dimethyl-6-[2-[methyl-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-6-[2-[methyl-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-[benzyl(methyl)amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[1-hydroxy-2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-[benzyl(methyl)amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-[benzyl(methyl)amino]-1-hydroxy-2-keto-ethyl]-4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H21N2NaO7S MolecularWeight: 432.42331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S.Na/c1-18(2)13(17(24)25)20-14(22)11(16(20)28(18,26)27)12(21)15(23)19(3)9-10-7-5-4-6-8-10;/h4-8,11-13,16,21H,9H2,1-3H3,(H,24,25);/q;+1/p-1