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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(2-oxidanylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(2-hydroxybutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[(2-hydroxybutylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(2-hydroxybutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(2-hydroxybutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H17BrFN3O5S MolecularWeight: 462.290683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrFN3O5S/c1-2-10(22)6-19-16(25)20-14-12(15(23)24)13(21-27-14)26-7-8-3-4-9(17)5-11(8)18/h3-5,10,22H,2,6-7H2,1H3,(H,23,24)(H2,19,20,25)