2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3-(2-ethoxyphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-6-keto-3-o-phenetyl-pyrimidin-4-olate Formula: C22H19N2O6S- MolecularWeight: 439.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-2-28-17-6-4-3-5-15(17)24-21(27)12-20(26)23-22(24)31-13-16(25)14-7-8-18-19(11-14)30-10-9-29-18/h3-8,11-12,27H,2,9-10,13H2,1H3/p-1