[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=C3C(=CC(=C2)F)CO[C@H](O3)C4=CC=CC=C4)NC

InChI

InChI=1S/C21H19FN2O4S/c1-12-17(19(23-2)29-24-12)20(25)26-10-14-8-16(22)9-15-11-27-21(28-18(14)15)13-6-4-3-5-7-13/h3-9,21,23H,10-11H2,1-2H3/t21-/m1/s1