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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)carbonyl-5-(naphthalen-1-ylmethylsulfanyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-chlorobenzoyl)-5-(1-naphthylmethylsulfanyl)-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[2-[(4-chlorophenyl)-oxomethyl]-5-(1-naphthalenylmethylthio)-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorobenzoyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[2-(4-chlorobenzoyl)-5-(1-naphthylmethylthio)-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C31H25ClNO3S2+ MolecularWeight: 559.1181

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H25ClNO3S2/c1-2-36-27(34)19-26-28(33-17-6-3-7-18-33)31(38-30(26)29(35)22-13-15-24(32)16-14-22)37-20-23-11-8-10-21-9-4-5-12-25(21)23/h3-18H,2,19-20H2,1H3/q+1