[2-acetyloxy-3-butyl-5-(C-methylsulfanylcarbonimidoyl)-4-phenyl-phenyl] ethanoate hydroiodide

Systemtic Name: [2-acetyloxy-3-butyl-5-(C-methylsulfanylcarbonimidoyl)-4-phenyl-phenyl] ethanoate hydroiodide Openeye Name: [2-acetoxy-3-butyl-5-(methylsulfanylcarbonimidoyl)-4-phenyl-phenyl] acetate hydroiodide CAS Name: acetic acid [2-acetyloxy-3-butyl-5-[imino-(methylthio)methyl]-4-phenylphenyl] ester hydroiodide IUPAC Name: [2-acetyloxy-3-butyl-5-(C-methylsulfanylcarbonimidoyl)-4-phenylphenyl] acetate hydroiodide Traditional Name: acetic acid [2-acetoxy-3-butyl-5-[(methylthio)carbonimidoyl]-4-phenyl-phenyl] ester hydroiodide Formula: C22H26INO4S MolecularWeight: 527.41561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1OC(=O)C)OC(=O)C)C(=N)SC)C2=CC=CC=C2.I

Isomeric SMILES

CCCCC1=C(C(=CC(=C1OC(=O)C)OC(=O)C)C(=N)SC)C2=CC=CC=C2.I

InChI

InChI=1S/C22H25NO4S.HI/c1-5-6-12-17-20(16-10-8-7-9-11-16)18(22(23)28-4)13-19(26-14(2)24)21(17)27-15(3)25;/h7-11,13,23H,5-6,12H2,1-4H3;1H