(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-furanylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-furfurylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=C(C(=S)NCC3=CC=CO3)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C(=C(/C(=S)NCC3=CC=CO3)\[N+]4=CC=CC=C4)/[O-]

InChI

InChI=1S/C21H18N2O4S/c24-20(15-6-7-17-18(13-15)27-12-11-26-17)19(23-8-2-1-3-9-23)21(28)22-14-16-5-4-10-25-16/h1-10,13H,11-12,14H2,(H-,22,24,28)