1-(4-ethoxyphenyl)-5-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 1-(4-ethoxyphenyl)-5-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 1-(4-ethoxyphenyl)-5-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 1-(4-ethoxyphenyl)-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(1S)-3-ketophthalan-1-yl]-1-p-phenetyl-2-thioxo-pyrimidine-4,6-diolate Formula: C20H14N2O5S-2 MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(=NC2=S)[O-])C3C4=CC=CC=C4C(=O)O3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=NC2=S)[O-])[C@@H]3C4=CC=CC=C4C(=O)O3)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-2-26-12-9-7-11(8-10-12)22-18(24)15(17(23)21-20(22)28)16-13-5-3-4-6-14(13)19(25)27-16/h3-10,16,24H,2H2,1H3,(H,21,23,28)/p-2/t16-/m0/s1