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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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