7-azanyl-8-oxidanylidene-3-[(2-oxidanyl-2-phenyl-ethanoyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(2-oxidanyl-2-phenyl-ethanoyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(2-hydroxy-2-phenyl-acetyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(2-hydroxy-1-oxo-2-phenylethoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(2-hydroxy-2-phenylacetyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(mandeloyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C16H16N2O6S/c17-10-13(20)18-11(15(21)22)9(7-25-14(10)18)6-24-16(23)12(19)8-4-2-1-3-5-8/h1-5,10,12,14,19H,6-7,17H2,(H,21,22)