sodium 3-(hydroxymethyl)-7-(2-methylsulfonylethoxycarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(hydroxymethyl)-7-(2-methylsulfonylethoxycarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(hydroxymethyl)-7-(2-methylsulfonylethoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(hydroxymethyl)-7-[[2-methylsulfonylethoxy(oxo)methyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(hydroxymethyl)-7-(2-methylsulfonylethoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-7-(2-mesylethoxycarbonylamino)-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H15N2NaO8S2 MolecularWeight: 402.37587

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)NC1C2N(C1=O)C(=C(CS2)CO)C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)CCOC(=O)NC1C2N(C1=O)C(=C(CS2)CO)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H16N2O8S2.Na/c1-24(20,21)3-2-22-12(19)13-7-9(16)14-8(11(17)18)6(4-15)5-23-10(7)14;/h7,10,15H,2-5H2,1H3,(H,13,19)(H,17,18);/q;+1/p-1