sodium 3-(1-acetyloxyprop-2-ynyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(1-acetyloxyprop-2-ynyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(1-acetoxyprop-2-ynyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(1-acetyloxyprop-2-ynyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(1-acetyloxyprop-2-ynyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(1-acetoxyprop-2-ynyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H15N2NaO6S2 MolecularWeight: 442.44127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#C)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC(C#C)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H16N2O6S2.Na/c1-3-12(26-9(2)21)11-8-28-17-14(16(23)20(17)15(11)18(24)25)19-13(22)7-10-5-4-6-27-10;/h1,4-6,12,14,17H,7-8H2,2H3,(H,19,22)(H,24,25);/q;+1/p-1