(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methoxyphenyl)amino]-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-[(3-methoxyphenyl)amino]-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-(3-methoxyanilino)-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-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyanilino)-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-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)/C(=C(/C2=CC3=C(C=C2)OCCO3)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-27-18-7-5-6-17(15-18)24-23(30)21(25-10-3-2-4-11-25)22(26)16-8-9-19-20(14-16)29-13-12-28-19/h2-11,14-15H,12-13H2,1H3,(H-,24,26,30)