sodium 4-acetamido-3-(acetyloxymethyl)-8-oxidanylidene-7-thiophen-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 4-acetamido-3-(acetyloxymethyl)-8-oxidanylidene-7-thiophen-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 4-acetamido-3-(acetoxymethyl)-8-oxo-7-(2-thienyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 4-acetamido-3-(acetyloxymethyl)-8-oxo-7-thiophen-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 4-acetamido-3-(acetyloxymethyl)-8-oxo-7-thiophen-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 4-acetamido-3-(acetoxymethyl)-8-keto-7-(2-thienyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N2NaO6S2 MolecularWeight: 418.41987

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=C(N2C(S1)C(C2=O)C3=CC=CS3)C(=O)[O-])COC(=O)C.[Na+]

Isomeric SMILES

CC(=O)NC1C(=C(N2C(S1)C(C2=O)C3=CC=CS3)C(=O)[O-])COC(=O)C.[Na+]

InChI

InChI=1S/C16H16N2O6S2.Na/c1-7(19)17-13-9(6-24-8(2)20)12(16(22)23)18-14(21)11(15(18)26-13)10-4-3-5-25-10;/h3-5,11,13,15H,6H2,1-2H3,(H,17,19)(H,22,23);/q;+1/p-1