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

Systemtic Name: 3-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2-fluoro-phenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2-fluoro-benzyl)oxy-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H15ClFN3O5S MolecularWeight: 403.813103

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Cl)F)C(=O)O)O

Isomeric SMILES

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Cl)F)C(=O)O)O

InChI

InChI=1S/C15H15ClFN3O5S/c1-7(21)5-18-15(24)19-13-11(14(22)23)12(20-26-13)25-6-8-2-3-9(16)4-10(8)17/h2-4,7,21H,5-6H2,1H3,(H,22,23)(H2,18,19,24)