3-[5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[5-(4-fluorophenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[5-(4-fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[5-(4-fluorophenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-(4-fluorophenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C16H13FN2O3S2 MolecularWeight: 364.414423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCC(=O)O)SC=C2C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCC(=O)O)SC=C2C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN2O3S2/c1-19-15(22)13-11(9-2-4-10(17)5-3-9)8-24-14(13)18-16(19)23-7-6-12(20)21/h2-5,8H,6-7H2,1H3,(H,20,21)