7-methoxy-3-methylidene-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-methoxy-3-methylidene-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[(2-hydroxy-2-phenyl-acetyl)amino]-7-methoxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-7-methoxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[(2-hydroxy-2-phenylacetyl)amino]-7-methoxy-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-7-(mandeloylamino)-7-methoxy-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)NC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

COC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)NC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C17H18N2O6S/c1-9-8-26-16-17(25-2,15(24)19(16)11(9)14(22)23)18-13(21)12(20)10-6-4-3-5-7-10/h3-7,11-12,16,20H,1,8H2,2H3,(H,18,21)(H,22,23)