methyl 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-methylsulfonyl-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-methylsulfonyl-1,2-thiazole-4-carboxylate Openeye Name: methyl 3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-methylsulfonyl-isothiazole-4-carboxylate CAS Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-methylsulfonyl-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-methylsulfonyl-1,2-thiazole-4-carboxylate Traditional Name: 3-(4-bromo-2,6-difluoro-benzyl)oxy-5-mesyl-isothiazole-4-carboxylic acid methyl ester Formula: C13H10BrF2NO5S2 MolecularWeight: 442.253006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SN=C1OCC2=C(C=C(C=C2F)Br)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SN=C1OCC2=C(C=C(C=C2F)Br)F)S(=O)(=O)C

InChI

InChI=1S/C13H10BrF2NO5S2/c1-21-12(18)10-11(17-23-13(10)24(2,19)20)22-5-7-8(15)3-6(14)4-9(7)16/h3-4H,5H2,1-2H3