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

Systemtic Name: N-[3-(2-iodanylphenyl)sulfanyl-2-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenyl-ethanamide Openeye Name: N-[2-formyl-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenyl-acetamide CAS Name: N-[2-formyl-3-[(2-iodophenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenylacetamide IUPAC Name: N-[2-formyl-3-(2-iodophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenylacetamide Traditional Name: N-[2-formyl-3-[(2-iodophenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenyl-acetamide Formula: C21H17IN2O3S2 MolecularWeight: 536.40575

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C=O)SC4=CC=CC=C4I

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C=O)SC4=CC=CC=C4I

InChI

InChI=1S/C21H17IN2O3S2/c22-14-8-4-5-9-16(14)29-17-12-28-21-19(20(27)24(21)15(17)11-25)23-18(26)10-13-6-2-1-3-7-13/h1-9,11,19,21H,10,12H2,(H,23,26)