2-cyano-N-[3-(2-iodanylphenyl)sulfanyl-2-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ethanamide

Systemtic Name: 2-cyano-N-[3-(2-iodanylphenyl)sulfanyl-2-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ethanamide Openeye Name: 2-cyano-N-[2-formyl-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide CAS Name: 2-cyano-N-[2-formyl-3-[(2-iodophenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide IUPAC Name: 2-cyano-N-[2-formyl-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide Traditional Name: 2-cyano-N-[2-formyl-3-[(2-iodophenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide Formula: C16H12IN3O3S2 MolecularWeight: 485.31925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C=O)SC3=CC=CC=C3I

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C=O)SC3=CC=CC=C3I

InChI

InChI=1S/C16H12IN3O3S2/c17-9-3-1-2-4-11(9)25-12-8-24-16-14(19-13(22)5-6-18)15(23)20(16)10(12)7-21/h1-4,7,14,16H,5,8H2,(H,19,22)