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

Systemtic Name: sodium 3-methyl-4,4,7-tris(oxidanylidene)-3-(thiocyanatomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3-methyl-4,4,7-trioxo-3-(thiocyanatomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3-methyl-4,4,7-trioxo-3-(thiocyanatomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3-methyl-4,4,7-trioxo-3-(thiocyanatomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 4,4,7-triketo-3-methyl-3-(thiocyanatomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C9H9N2NaO5S2 MolecularWeight: 312.29793

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CSC#N.[Na+]

Isomeric SMILES

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CSC#N.[Na+]

InChI

InChI=1S/C9H10N2O5S2.Na/c1-9(3-17-4-10)7(8(13)14)11-5(12)2-6(11)18(9,15)16;/h6-7H,2-3H2,1H3,(H,13,14);/q;+1/p-1