(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21FN2O4S/c1-14-8-15(2)26-23(25-14)31-13-20(27)28-11-17-9-19(24)10-18-12-29-22(30-21(17)18)16-6-4-3-5-7-16/h3-10,22H,11-13H2,1-2H3