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

Systemtic Name: 4-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 4-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 4-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 4-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 8-keto-4-methylol-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C8H9NO4S MolecularWeight: 215.22636

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(C=C(S2)CO)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(C=C(S2)CO)C(=O)O

InChI

InChI=1S/C8H9NO4S/c10-3-4-1-5(8(12)13)9-6(11)2-7(9)14-4/h1,5,7,10H,2-3H2,(H,12,13)