methyl 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-3-sulfanyl-prop-2-enoate

Systemtic Name: methyl 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-3-sulfanyl-prop-2-enoate Openeye Name: methyl 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-3-sulfanyl-prop-2-enoate CAS Name: 2-(2-isoquinolin-2-iumyl)-3-mercapto-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-3-sulfanylprop-2-enoate Traditional Name: 2-isoquinolin-2-ium-2-yl-3-mercapto-3-(methylthio)acrylic acid methyl ester Formula: C14H14NO2S2+ MolecularWeight: 292.39646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(S)SC)[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)C(=C(S)SC)[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H13NO2S2/c1-17-13(16)12(14(18)19-2)15-8-7-10-5-3-4-6-11(10)9-15/h3-9H,1-2H3/p+1