(E)-2-isoquinolin-2-ium-2-yl-1-methoxy-3-methylsulfanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-isoquinolin-2-ium-2-yl-1-methoxy-3-methylsulfanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-isoquinolin-2-ium-2-yl-1-methoxy-3-methylsulfanyl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(2-isoquinolin-2-iumyl)-1-methoxy-3-(methylthio)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-isoquinolin-2-ium-2-yl-1-methoxy-3-methylsulfanyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-isoquinolin-2-ium-2-yl-1-methoxy-3-(methylthio)-3-thioxo-prop-1-en-1-olate Formula: C14H13NO2S2 MolecularWeight: 291.38852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO/C(=C(\C(=S)SC)/[N+]1=CC2=CC=CC=C2C=C1)/[O-]

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