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

Systemtic Name: ethyl 2-[5-(naphthalen-1-ylmethylsulfanyl)-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-(1-naphthylmethylsulfanyl)-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-(1-naphthalenylmethylthio)-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-(naphthalen-1-ylmethylsulfanyl)-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-(1-naphthylmethylthio)-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C31H26NO3S2+ MolecularWeight: 524.67304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H26NO3S2/c1-2-35-27(33)20-26-28(32-18-9-4-10-19-32)31(37-30(26)29(34)23-13-5-3-6-14-23)36-21-24-16-11-15-22-12-7-8-17-25(22)24/h3-19H,2,20-21H2,1H3/q+1