1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H22N2O3S MolecularWeight: 418.50808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-2-17-7-6-8-19(15-17)25-24(30)22(26-11-4-3-5-12-26)23(27)18-9-10-20-21(16-18)29-14-13-28-20/h3-12,15-16H,2,13-14H2,1H3,(H-,25,27,30)