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

Systemtic Name: 4-[(4-cyanophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[(4-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(4-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[(4-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(4-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(=CC(S2)COC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)COC3=CC=C(C=C3)C#N)C(=O)O

InChI

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