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

Systemtic Name: 4-[(4-bromanylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(4-bromophenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)COC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)COC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H12BrNO4S/c15-8-1-3-9(4-2-8)20-7-10-5-11(14(18)19)16-12(17)6-13(16)21-10/h1-5,10,13H,6-7H2,(H,18,19)