1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)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-[(2-methylphenyl)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-(2-methylanilino)-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-(2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(o-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H20N2O3S MolecularWeight: 404.4815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S/c1-16-7-3-4-8-18(16)24-23(29)21(25-11-5-2-6-12-25)22(26)17-9-10-19-20(15-17)28-14-13-27-19/h2-12,15H,13-14H2,1H3,(H-,24,26,29)