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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(m-anisidino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H22N2O4S/c1-16-5-4-10-26(15-16)22(24(31)25-18-6-3-7-19(14-18)28-2)23(27)17-8-9-20-21(13-17)30-12-11-29-20/h3-10,13-15H,11-12H2,1-2H3,(H-,25,27,31)