3-(acetyloxymethyl)-8-oxidanylidene-7-(2-oxidanyl-2-phenyl-ethanoyl)oxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-oxidanyl-2-phenyl-ethanoyl)oxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-(2-hydroxy-2-phenyl-acetyl)oxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-(2-hydroxy-1-oxo-2-phenylethoxy)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-(2-hydroxy-2-phenylacetyl)oxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-mandeloyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)OC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)OC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

InChI

InChI=1S/C18H17NO8S/c1-9(20)26-7-11-8-28-16-14(15(22)19(16)12(11)17(23)24)27-18(25)13(21)10-5-3-2-4-6-10/h2-6,13-14,16,21H,7-8H2,1H3,(H,23,24)