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

Systemtic Name: 3-[(3-cyanophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(3-cyanophenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)COC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)COC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c16-6-9-2-1-3-11(4-9)21-7-10-8-22-13-5-12(18)17(13)14(10)15(19)20/h1-4,13H,5,7-8H2,(H,19,20)