ethyl 2-[5-(2-methylprop-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-methylprop-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-(2-methylallylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-(2-methylprop-2-enylthio)-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-(2-methylprop-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-(2-methylallylthio)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C25H26NO3S2+ MolecularWeight: 452.60884

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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)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO3S2/c1-5-29-21(27)15-20-22(26-13-11-18(4)12-14-26)25(30-16-17(2)3)31-24(20)23(28)19-9-7-6-8-10-19/h6-14H,2,5,15-16H2,1,3-4H3/q+1