(Z)-[4-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-5-sulfanylidene-thiophen-2-ylidene]-phenyl-methanolate

Systemtic Name: (Z)-[4-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-5-sulfanylidene-thiophen-2-ylidene]-phenyl-methanolate Openeye Name: (Z)-[4-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxo-ethyl)-5-thioxo-2-thienylidene]-phenyl-methanolate CAS Name: (Z)-[4-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidene-2-thiophenylidene]-phenylmethanolate IUPAC Name: (Z)-[4-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidenethiophen-2-ylidene]-phenylmethanolate Traditional Name: (Z)-[4-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-keto-ethyl)-5-thioxo-2-thienylidene]-phenyl-methanolate Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=S)SC1=C(C2=CC=CC=C2)[O-])[N+]3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CC\1=C(C(=S)S/C1=C(/C2=CC=CC=C2)\[O-])[N+]3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H21NO3S2/c1-4-26-18(24)11-17-19(23-12-14(2)10-15(3)13-23)22(27)28-21(17)20(25)16-8-6-5-7-9-16/h5-10,12-13H,4,11H2,1-3H3