3-[(4-ethoxycarbonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(4-ethoxycarbonylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-ethoxycarbonylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(4-ethoxycarbonylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(4-carbethoxyanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S2/c1-2-26-21(25)15-8-10-16(11-9-15)22-20(27)18(23-12-4-3-5-13-23)19(24)17-7-6-14-28-17/h3-14H,2H2,1H3,(H-,22,24,25,27)