(Z)-1-ethoxy-3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-ethoxy-3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-2-(3-benzyloxypyridin-1-ium-1-yl)-1-ethoxy-3-(3-ethoxy-3-oxo-propyl)sulfanyl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-ethoxy-3-[(3-ethoxy-3-oxopropyl)thio]-2-(3-phenylmethoxy-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-ethoxy-3-(3-ethoxy-3-oxopropyl)sulfanyl-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-2-(3-benzoxypyridin-1-ium-1-yl)-1-ethoxy-3-[(3-ethoxy-3-keto-propyl)thio]-3-thioxo-prop-1-en-1-olate Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=S)C(=C([O-])OCC)[N+]1=CC=CC(=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCSC(=S)/C(=C(\[O-])/OCC)/[N+]1=CC=CC(=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S2/c1-3-26-19(24)12-14-30-22(29)20(21(25)27-4-2)23-13-8-11-18(15-23)28-16-17-9-6-5-7-10-17/h5-11,13,15H,3-4,12,14,16H2,1-2H3