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

Systemtic Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-(4-bromophenyl)carbonyl-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-(9-anthrylmethylsulfanyl)-2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[5-(9-anthracenylmethylthio)-2-[(4-bromophenyl)-oxomethyl]-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[5-(9-anthrylmethylthio)-2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C36H29BrNO3S2+ MolecularWeight: 667.65436

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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=C(C=C6)Br

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=C(C=C6)Br

InChI

InChI=1S/C36H29BrNO3S2/c1-3-41-32(39)21-30-33(38-18-16-23(2)17-19-38)36(43-35(30)34(40)24-12-14-27(37)15-13-24)42-22-31-28-10-6-4-8-25(28)20-26-9-5-7-11-29(26)31/h4-20H,3,21-22H2,1-2H3/q+1