3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(methylcarbamoylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C13H11BrFN3O4S MolecularWeight: 404.211543

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C13H11BrFN3O4S/c1-16-13(21)17-11-9(12(19)20)10(18-23-11)22-5-6-2-3-7(14)4-8(6)15/h2-4H,5H2,1H3,(H,19,20)(H2,16,17,21)