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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(2,2-dimethylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(2,2-dimethylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[(2,2-dimethylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(2,2-dimethylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(neopentylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H19BrFN3O4S MolecularWeight: 460.317863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrFN3O4S/c1-17(2,3)8-20-16(25)21-14-12(15(23)24)13(22-27-14)26-7-9-4-5-10(18)6-11(9)19/h4-6H,7-8H2,1-3H3,(H,23,24)(H2,20,21,25)