ethyl (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate bromide

Systemtic Name: ethyl (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate bromide Openeye Name: ethyl (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate bromide CAS Name: (Z)-2-(4-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylmethylthio)-3-(phenacylthio)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanylprop-2-enoate bromide Traditional Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylthio)-3-(phenacylthio)acrylic acid ethyl ester bromide Formula: C30H28BrNO3S2 MolecularWeight: 594.58222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=CC2=CC=CC=C21)SCC(=O)C3=CC=CC=C3)[N+]4=CC=C(C=C4)C.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C(\SCC1=CC=CC2=CC=CC=C21)/SCC(=O)C3=CC=CC=C3)/[N+]4=CC=C(C=C4)C.[Br-]

InChI

InChI=1S/C30H28NO3S2.BrH/c1-3-34-29(33)28(31-18-16-22(2)17-19-31)30(36-21-27(32)24-11-5-4-6-12-24)35-20-25-14-9-13-23-10-7-8-15-26(23)25;/h4-19H,3,20-21H2,1-2H3;1H/q+1;/p-1/b30-28-;