1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-(4-methoxyanilino)-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-mercapto-3-(4-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-3-(p-anisidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H21N2O4S+ MolecularWeight: 421.48884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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