1-(4-ethoxyphenyl)-6-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-ethoxyphenyl)-6-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-phthalidyl-1-p-phenetyl-2-thioxo-pyrimidin-4-one Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=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)