(2-phenylethanoylamino) 3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (2-phenylethanoylamino) 3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: [(2-phenylacetyl)amino] 3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] 3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(C(=CS2)CO)C(=O)ONC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C2N(C1=O)C(C(=CS2)CO)C(=O)ONC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O5S/c19-8-11-9-24-14-7-13(21)18(14)15(11)16(22)23-17-12(20)6-10-4-2-1-3-5-10/h1-5,9,14-15,19H,6-8H2,(H,17,20)