3-[[4-chloranyl-2,3,6-tris(fluoranyl)phenyl]methoxy]-5-(4-imidazol-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2,3,6-tris(fluoranyl)phenyl]methoxy]-5-(4-imidazol-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2,3,6-trifluoro-phenyl)methoxy]-5-(4-imidazol-1-ylbutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2,3,6-trifluorophenyl)methoxy]-5-[[[4-(1-imidazolyl)butylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2,3,6-trifluorophenyl)methoxy]-5-(4-imidazol-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2,3,6-trifluoro-benzyl)oxy-5-(4-imidazol-1-ylbutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H17ClF3N5O4S MolecularWeight: 503.88259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C(=C(C=C3F)Cl)F)F)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C(=C(C=C3F)Cl)F)F)C(=O)O

InChI

InChI=1S/C19H17ClF3N5O4S/c20-11-7-12(21)10(14(22)15(11)23)8-32-16-13(18(29)30)17(33-27-16)26-19(31)25-3-1-2-5-28-6-4-24-9-28/h4,6-7,9H,1-3,5,8H2,(H,29,30)(H2,25,26,31)