3-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]-5-(furan-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]-5-(furan-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2-fluoro-phenyl)methoxy]-5-(2-furylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-[[(2-furanylmethylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-(furan-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2-fluoro-benzyl)oxy-5-(2-furfurylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H13ClFN3O5S MolecularWeight: 425.818623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Cl)F)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Cl)F)C(=O)O

InChI

InChI=1S/C17H13ClFN3O5S/c18-10-4-3-9(12(19)6-10)8-27-14-13(16(23)24)15(28-22-14)21-17(25)20-7-11-2-1-5-26-11/h1-6H,7-8H2,(H,23,24)(H2,20,21,25)