ethyl 2-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate iodide

Systemtic Name: ethyl 2-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate iodide Openeye Name: ethyl 2-[2-benzoyl-5-[(2-methyl-1-naphthyl)methylsulfanyl]-4-pyridin-1-ium-1-yl-3-thienyl]acetate iodide CAS Name: 2-[2-benzoyl-5-[(2-methyl-1-naphthalenyl)methylthio]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester iodide IUPAC Name: ethyl 2-[2-benzoyl-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate iodide Traditional Name: 2-[2-benzoyl-5-[(2-methyl-1-naphthyl)methylthio]-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester iodide Formula: C32H28INO3S2 MolecularWeight: 665.60409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=C(C=CC4=CC=CC=C43)C)C(=O)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=C(C=CC4=CC=CC=C43)C)C(=O)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C32H28NO3S2.HI/c1-3-36-28(34)20-26-29(33-18-10-5-11-19-33)32(38-31(26)30(35)24-13-6-4-7-14-24)37-21-27-22(2)16-17-23-12-8-9-15-25(23)27;/h4-19H,3,20-21H2,1-2H3;1H/q+1;/p-1