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

Systemtic Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-[[2,3,5,6-tetrakis(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-[(2,3,5,6-tetrafluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[[6-(dimethylamino)hexylamino]-oxomethyl]amino]-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-(2,3,5,6-tetrafluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C21H26F4N4O4S MolecularWeight: 506.514153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCCN(C)C)F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCCN(C)C)F)F

InChI

InChI=1S/C21H26F4N4O4S/c1-11-14(22)16(24)12(17(25)15(11)23)10-33-18-13(20(30)31)19(34-28-18)27-21(32)26-8-6-4-5-7-9-29(2)3/h4-10H2,1-3H3,(H,30,31)(H2,26,27,32)