3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[6-(dimethylamino)hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[6-(dimethylamino)hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-[6-(dimethylamino)hexylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[[6-(dimethylamino)hexylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[6-(dimethylamino)hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2,6-difluoro-benzyl)oxy-5-[6-(dimethylamino)hexylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C20H25BrF2N4O4S MolecularWeight: 535.402706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)Br)F)C(=O)O

Isomeric SMILES

CN(C)CCCCCCNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)Br)F)C(=O)O

InChI

InChI=1S/C20H25BrF2N4O4S/c1-27(2)8-6-4-3-5-7-24-20(30)25-18-16(19(28)29)17(26-32-18)31-11-13-14(22)9-12(21)10-15(13)23/h9-10H,3-8,11H2,1-2H3,(H,28,29)(H2,24,25,30)