(4-ethoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-carbethoxyphenyl) ester Formula: C24H19FN2O5S MolecularWeight: 466.481463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C24H19FN2O5S/c1-3-31-23(29)16-7-9-18(10-8-16)32-24(30)20-14(2)19-21(33-20)26-13-27(22(19)28)12-15-5-4-6-17(25)11-15/h4-11,13H,3,12H2,1-2H3