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

Systemtic Name: ethyl 2-[5-(3-methylbut-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-(3-methylbut-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-(3-methylbut-2-enylthio)-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-(3-methylbut-2-enylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-(3-methylbut-2-enylthio)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C26H28NO3S2+ MolecularWeight: 466.63542

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

InChI

InChI=1S/C26H28NO3S2/c1-5-30-22(28)17-21-23(27-14-11-19(4)12-15-27)26(31-16-13-18(2)3)32-25(21)24(29)20-9-7-6-8-10-20/h6-15H,5,16-17H2,1-4H3/q+1