ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-(9-anthrylmethylsulfanyl)-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[5-(9-anthracenylmethylthio)-2-benzoyl-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[5-(9-anthrylmethylthio)-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C36H30NO3S2+ MolecularWeight: 588.7583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H30NO3S2/c1-3-40-32(38)22-30-33(37-19-17-24(2)18-20-37)36(42-35(30)34(39)25-11-5-4-6-12-25)41-23-31-28-15-9-7-13-26(28)21-27-14-8-10-16-29(27)31/h4-21H,3,22-23H2,1-2H3/q+1