3-(acetyloxymethyl)-7-methoxy-7-(3-methylsulfinylpropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-methoxy-7-(3-methylsulfinylpropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-methoxy-7-(3-methylsulfinylpropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-methoxy-7-[(3-methylsulfinyl-1-oxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-methoxy-7-(3-methylsulfinylpropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-methoxy-7-(3-methylsulfinylpropanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H20N2O8S2 MolecularWeight: 420.4579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCS(=O)C)OC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCS(=O)C)OC)SC1)C(=O)O

InChI

InChI=1S/C15H20N2O8S2/c1-8(18)25-6-9-7-26-14-15(24-2,16-10(19)4-5-27(3)23)13(22)17(14)11(9)12(20)21/h14H,4-7H2,1-3H3,(H,16,19)(H,20,21)