4-acetamido-3-(acetyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-acetamido-3-(acetyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-acetamido-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-acetamido-3-(acetoxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=C(N2C(S1)CC2=O)C(=O)O)COC(=O)C

Isomeric SMILES

CC(=O)NC1C(=C(N2C(S1)CC2=O)C(=O)O)COC(=O)C

InChI

InChI=1S/C12H14N2O6S/c1-5(15)13-11-7(4-20-6(2)16)10(12(18)19)14-8(17)3-9(14)21-11/h9,11H,3-4H2,1-2H3,(H,13,15)(H,18,19)