ethyl 3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-benzylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate CAS Name: 3-mercapto-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enoate Traditional Name: 3-(benzylthio)-3-mercapto-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester Formula: C17H18NO2S2+ MolecularWeight: 332.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SCC1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=C(S)SCC1=CC=CC=C1)[N+]2=CC=CC=C2

InChI

InChI=1S/C17H17NO2S2/c1-2-20-16(19)15(18-11-7-4-8-12-18)17(21)22-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/p+1