ethyl 2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylsulfanyl)-3-sulfanyl-prop-2-enoate CAS Name: 3-mercapto-2-(4-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-sulfanylprop-2-enoate Traditional Name: 3-mercapto-2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylthio)acrylic acid ethyl ester Formula: C22H22NO2S2+ MolecularWeight: 396.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SCC1=CC=CC2=CC=CC=C21)[N+]3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(=C(S)SCC1=CC=CC2=CC=CC=C21)[N+]3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO2S2/c1-3-25-21(24)20(23-13-11-16(2)12-14-23)22(26)27-15-18-9-6-8-17-7-4-5-10-19(17)18/h4-14H,3,15H2,1-2H3/p+1