(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic 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 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17FN2O4S MolecularWeight: 400.423383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H17FN2O4S/c1-11-16(18(22)28-23-11)19(24)25-9-13-7-15(21)8-14-10-26-20(27-17(13)14)12-5-3-2-4-6-12/h2-8,20H,9-10,22H2,1H3