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

Systemtic Name: (E)-[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-pyridin-1-ium-1-yl-5-sulfanylidene-thiophen-2-ylidene]-phenyl-methanolate Openeye Name: (E)-[3-(2-ethoxy-2-oxo-ethyl)-4-pyridin-1-ium-1-yl-5-thioxo-2-thienylidene]-phenyl-methanolate CAS Name: (E)-[3-(2-ethoxy-2-oxoethyl)-4-(1-pyridin-1-iumyl)-5-sulfanylidene-2-thiophenylidene]-phenylmethanolate IUPAC Name: (E)-[3-(2-ethoxy-2-oxoethyl)-4-pyridin-1-ium-1-yl-5-sulfanylidenethiophen-2-ylidene]-phenylmethanolate Traditional Name: (E)-[3-(2-ethoxy-2-keto-ethyl)-4-pyridin-1-ium-1-yl-5-thioxo-2-thienylidene]-phenyl-methanolate Formula: C20H17NO3S2 MolecularWeight: 383.48388

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3S2/c1-2-24-16(22)13-15-17(21-11-7-4-8-12-21)20(25)26-19(15)18(23)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3