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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(butylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(butylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[butylamino(oxo)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(butylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(butylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H17BrFN3O4S MolecularWeight: 446.291283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrFN3O4S/c1-2-3-6-19-16(24)20-14-12(15(22)23)13(21-26-14)25-8-9-4-5-10(17)7-11(9)18/h4-5,7H,2-3,6,8H2,1H3,(H,22,23)(H2,19,20,24)