sodium 3-[(5-butyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3-[(5-butyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3-[(5-butyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3-[(5-butyl-1-triazolyl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3-[(5-butyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 3-[(5-butyltriazol-1-yl)methyl]-4,4,7-triketo-3-methyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C14H19N4NaO5S MolecularWeight: 378.37923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=NN1CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCC1=CN=NN1CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C14H20N4O5S.Na/c1-3-4-5-9-7-15-16-17(9)8-14(2)12(13(20)21)18-10(19)6-11(18)24(14,22)23;/h7,11-12H,3-6,8H2,1-2H3,(H,20,21);/q;+1/p-1