3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(4-ethoxyanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-phenetidino)-1-(2-thienyl)prop-2-en-1-one Formula: C21H21N2O2S2+ MolecularWeight: 397.53364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C21H20N2O2S2/c1-3-25-17-10-8-16(9-11-17)22-21(26)19(20(24)18-7-5-13-27-18)23-12-4-6-15(2)14-23/h4-14H,3H2,1-2H3,(H-,22,24,26)/p+1