7-acetamido-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium

Systemtic Name: 7-acetamido-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium Openeye Name: 7-acetamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium CAS Name: 7-acetamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium IUPAC Name: 7-acetamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium Traditional Name: 7-acetamido-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; actinium Formula: C10H12AcN2O5S MolecularWeight: 499.305427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)CO)C(=O)O.[Ac]

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)CO)C(=O)O.[Ac]

InChI

InChI=1S/C10H12N2O5S.Ac/c1-4(14)11-6-8(15)12-7(10(16)17)5(2-13)3-18-9(6)12;/h6,9,13H,2-3H2,1H3,(H,11,14)(H,16,17);