3-[(2-ethoxyphenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(2-ethoxyanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-ethoxyanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(2-ethoxyanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-(3-methylolpyridin-1-ium-1-yl)-3-(o-phenetidino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C21H20N2O3S2/c1-2-26-17-9-4-3-8-16(17)22-21(27)19(20(25)18-10-6-12-28-18)23-11-5-7-15(13-23)14-24/h3-13,24H,2,14H2,1H3,(H-,22,25,27)