3-[(4-acetamidophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-acetamidophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-acetamidophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-acetamidophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-acetamidophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-acetamidophenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

InChI

InChI=1S/C16H16N2O5S/c1-9(19)17-11-2-4-12(5-3-11)23-7-10-8-24-14-6-13(20)18(14)15(10)16(21)22/h2-5,14H,6-8H2,1H3,(H,17,19)(H,21,22)