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

Systemtic Name: ethyl 2-[2-(4-bromophenyl)carbonyl-4-(4-methylpyridin-1-ium-1-yl)-5-(naphthalen-2-ylmethylsulfanyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)-5-(2-naphthylmethylsulfanyl)-3-thienyl]acetate CAS Name: 2-[2-[(4-bromophenyl)-oxomethyl]-4-(4-methyl-1-pyridin-1-iumyl)-5-(2-naphthalenylmethylthio)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)-5-(naphthalen-2-ylmethylsulfanyl)thiophen-3-yl]acetate Traditional Name: 2-[2-(4-bromobenzoyl)-4-(4-methylpyridin-1-ium-1-yl)-5-(2-naphthylmethylthio)-3-thienyl]acetic acid ethyl ester Formula: C32H27BrNO3S2+ MolecularWeight: 617.59568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H27BrNO3S2/c1-3-37-28(35)19-27-29(34-16-14-21(2)15-17-34)32(39-31(27)30(36)24-10-12-26(33)13-11-24)38-20-22-8-9-23-6-4-5-7-25(23)18-22/h4-18H,3,19-20H2,1-2H3/q+1