(5-cyano-2-fluoranyl-phenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (5-cyano-2-fluoro-benzyl) ester Formula: C16H10FN3O2S2 MolecularWeight: 359.397903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)COC(=O)CSC2=NC=NC3=C2C=CS3)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)COC(=O)CSC2=NC=NC3=C2C=CS3)F

InChI

InChI=1S/C16H10FN3O2S2/c17-13-2-1-10(6-18)5-11(13)7-22-14(21)8-24-16-12-3-4-23-15(12)19-9-20-16/h1-5,9H,7-8H2