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

Systemtic Name: 4-(hydroxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(hydroxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-(hydroxymethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(hydroxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-methylol-7-[(2-phenoxyacetyl)amino]-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:

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(=CC(S3)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(=CC(S3)CO)C(=O)O

InChI

InChI=1S/C16H16N2O6S/c19-7-10-6-11(16(22)23)18-14(21)13(15(18)25-10)17-12(20)8-24-9-4-2-1-3-5-9/h1-6,10,13,15,19H,7-8H2,(H,17,20)(H,22,23)