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

Systemtic Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-(9-anthrylmethylsulfanyl)-2-benzoyl-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[5-(9-anthracenylmethylthio)-2-benzoyl-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(anthracen-9-ylmethylsulfanyl)-2-benzoyl-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[5-(9-anthrylmethylthio)-2-benzoyl-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C35H28NO3S2+ MolecularWeight: 574.73172

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C35H28NO3S2/c1-2-39-31(37)22-29-32(36-19-11-4-12-20-36)35(41-34(29)33(38)24-13-5-3-6-14-24)40-23-30-27-17-9-7-15-25(27)21-26-16-8-10-18-28(26)30/h3-21H,2,22-23H2,1H3/q+1