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

Systemtic Name: 3-(hydroxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-8-oxo-7-(2-phenoxyacetyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-8-oxo-7-(1-oxo-2-phenoxyethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-8-oxo-7-(2-phenoxyacetyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methylol-7-(2-phenoxyacetyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)C(=O)COC3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)C(=O)COC3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C16H15NO6S/c18-6-9-8-24-15-12(14(20)17(15)13(9)16(21)22)11(19)7-23-10-4-2-1-3-5-10/h1-5,12,15,18H,6-8H2,(H,21,22)