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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(prop-2-enylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoylamino)-3-[(4-bromo-2-fluoro-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[oxo-(prop-2-enylamino)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(prop-2-enylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoylamino)-3-(4-bromo-2-fluoro-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C15H13BrFN3O4S MolecularWeight: 430.248823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrFN3O4S/c1-2-5-18-15(23)19-13-11(14(21)22)12(20-25-13)24-7-8-3-4-9(16)6-10(8)17/h2-4,6H,1,5,7H2,(H,21,22)(H2,18,19,23)