8-oxidanylidene-7-(5-oxidanylideneoxolan-3-yl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(5-oxidanylideneoxolan-3-yl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-(5-oxotetrahydrofuran-3-yl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-(5-oxo-3-oxolanyl)-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-(5-oxooxolan-3-yl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(5-ketotetrahydrofuran-3-yl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)(C3CC(=O)OC3)NC(=O)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)(C3CC(=O)OC3)NC(=O)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H18N2O7S/c22-14(10-27-12-4-2-1-3-5-12)20-19(11-8-15(23)28-9-11)17(26)21-13(16(24)25)6-7-29-18(19)21/h1-6,11,18H,7-10H2,(H,20,22)(H,24,25)