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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[dimethylamino(oxo)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H13BrFN3O4S MolecularWeight: 418.238123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrFN3O4S/c1-19(2)14(22)17-12-10(13(20)21)11(18-24-12)23-6-7-3-4-8(15)5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)(H,20,21)