(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C19H21FN2O4S/c1-11-16(12(2)22-19(21-11)27-3)4-5-17(23)25-9-14-7-15(20)6-13-8-24-10-26-18(13)14/h6-7H,4-5,8-10H2,1-3H3