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

Systemtic Name: 3-(acetyloxymethyl)-7-methoxy-7-(2-methylsulfonylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-methoxy-7-[(2-methylsulfonylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-methoxy-7-[(2-methylsulfonyl-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-methoxy-7-[(2-methylsulfonylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(2-mesylacetyl)amino]-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H18N2O9S2 MolecularWeight: 422.43072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O9S2/c1-7(17)25-4-8-5-26-13-14(24-2,15-9(18)6-27(3,22)23)12(21)16(13)10(8)11(19)20/h13H,4-6H2,1-3H3,(H,15,18)(H,19,20)