ethyl 3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate CAS Name: 3-mercapto-3-(methylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enoate Traditional Name: 3-mercapto-3-(methylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester Formula: C11H14NO2S2+ MolecularWeight: 256.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SC)[N+]1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=C(S)SC)[N+]1=CC=CC=C1

InChI

InChI=1S/C11H13NO2S2/c1-3-14-10(13)9(11(15)16-2)12-7-5-4-6-8-12/h4-8H,3H2,1-2H3/p+1