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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)carbonyl-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-chlorobenzoyl)-5-[(2-methyl-1-naphthyl)methylsulfanyl]-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[2-[(4-chlorophenyl)-oxomethyl]-5-[(2-methyl-1-naphthalenyl)methylthio]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorobenzoyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[2-(4-chlorobenzoyl)-5-[(2-methyl-1-naphthyl)methylthio]-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C32H27ClNO3S2+ MolecularWeight: 573.14468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27ClNO3S2/c1-3-37-28(35)19-26-29(34-17-7-4-8-18-34)32(39-31(26)30(36)23-13-15-24(33)16-14-23)38-20-27-21(2)11-12-22-9-5-6-10-25(22)27/h4-18H,3,19-20H2,1-2H3/q+1