sodium 3-[2-acetyloxy-1-(2-thiophen-2-ylethanoylamino)propan-2-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-[2-acetyloxy-1-(2-thiophen-2-ylethanoylamino)propan-2-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-[1-acetoxy-1-methyl-2-[[2-(2-thienyl)acetyl]amino]ethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-[2-acetyloxy-1-[(1-oxo-2-thiophen-2-ylethyl)amino]propan-2-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-[2-acetyloxy-1-[(2-thiophen-2-ylacetyl)amino]propan-2-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-[1-acetoxy-1-methyl-2-[[2-(2-thienyl)acetyl]amino]ethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H19N2NaO6S2 MolecularWeight: 446.47303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(CNC(=O)CC1=CC=CS1)C2=C(N3C(CC3=O)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC(C)(CNC(=O)CC1=CC=CS1)C2=C(N3C(CC3=O)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H20N2O6S2.Na/c1-10(21)26-18(2,9-19-13(22)6-11-4-3-5-27-11)12-8-28-15-7-14(23)20(15)16(12)17(24)25;/h3-5,15H,6-9H2,1-2H3,(H,19,22)(H,24,25);/q;+1/p-1