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

Systemtic Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-(4-bromophenyl)carbonyl-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-(9-anthrylmethylsulfanyl)-2-(4-bromobenzoyl)-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[5-(9-anthracenylmethylthio)-2-[(4-bromophenyl)-oxomethyl]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-(4-bromobenzoyl)-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[5-(9-anthrylmethylthio)-2-(4-bromobenzoyl)-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C35H27BrNO3S2+ MolecularWeight: 653.62778

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H27BrNO3S2/c1-2-40-31(38)21-29-32(37-18-8-3-9-19-37)35(42-34(29)33(39)23-14-16-26(36)17-15-23)41-22-30-27-12-6-4-10-24(27)20-25-11-5-7-13-28(25)30/h3-20H,2,21-22H2,1H3/q+1