1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H18FN2O3S+ MolecularWeight: 409.453323

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=CC=C3F)S)[N+]4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=CC=C3F)S)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H17FN2O3S/c23-16-6-2-3-7-17(16)24-22(29)20(25-10-4-1-5-11-25)21(26)15-8-9-18-19(14-15)28-13-12-27-18/h1-11,14H,12-13H2,(H-,24,26,29)/p+1