(phenylmethyl) 3-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[2-(benzofuran-2-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(2-benzofuranyl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(benzofuran-2-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=CC=CC=C4O3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=CC=CC=C4O3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H18N2O5S/c1-15-21-23(33-22(15)25(30)31-13-16-7-3-2-4-8-16)26-14-27(24(21)29)12-18(28)20-11-17-9-5-6-10-19(17)32-20/h2-11,14H,12-13H2,1H3