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

Systemtic Name: sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Openeye Name: sodium 3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate CAS Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate IUPAC Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Traditional Name: sodium 3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Formula: C15H15N2NaO7S3 MolecularWeight: 454.47357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H16N2O7S3.Na/c1-8(18)24-6-9-7-26-14-12(13(20)17(14)15(9)27(21,22)23)16-11(19)5-10-3-2-4-25-10;/h2-4,12,14H,5-7H2,1H3,(H,16,19)(H,21,22,23);/q;+1/p-1