7-(2-cyanoethanoylamino)-3-(2-iodanylphenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-cyanoethanoylamino)-3-(2-iodanylphenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyanoacetyl)amino]-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-3-[(2-iodophenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyanoacetyl)amino]-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanoacetyl)amino]-3-[(2-iodophenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H12IN3O4S2 MolecularWeight: 501.31865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN3O4S2/c17-8-3-1-2-4-9(8)26-10-7-25-15-12(19-11(21)5-6-18)14(22)20(15)13(10)16(23)24/h1-4,12,15H,5,7H2,(H,19,21)(H,23,24)