ethyl 2-[4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)-5-prop-2-ynylsulfanyl-thiophen-3-yl]ethanoate iodide

Systemtic Name: ethyl 2-[4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)-5-prop-2-ynylsulfanyl-thiophen-3-yl]ethanoate iodide Openeye Name: ethyl 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-prop-2-ynylsulfanyl-3-thienyl]acetate iodide CAS Name: 2-[2-benzoyl-4-(4-methyl-1-pyridin-1-iumyl)-5-(prop-2-ynylthio)-3-thiophenyl]acetic acid ethyl ester iodide IUPAC Name: ethyl 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-prop-2-ynylsulfanylthiophen-3-yl]acetate iodide Traditional Name: 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-(propargylthio)-3-thienyl]acetic acid ethyl ester iodide Formula: C24H22INO3S2 MolecularWeight: 563.47085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC#C)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC#C)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H22NO3S2.HI/c1-4-15-29-24-21(25-13-11-17(3)12-14-25)19(16-20(26)28-5-2)23(30-24)22(27)18-9-7-6-8-10-18;/h1,6-14H,5,15-16H2,2-3H3;1H/q+1;/p-1