3-(hydroxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-3-methylol-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

C1C(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C16H18N2O5S/c19-7-10-8-24-15-12(14(21)18(15)13(10)16(22)23)17-11(20)6-9-4-2-1-3-5-9/h1-5,10,12-13,15,19H,6-8H2,(H,17,20)(H,22,23)