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

Systemtic Name: 5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-3-[[2,3,5,6-tetrakis(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-3-[(2,3,5,6-tetrafluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(4-pyrrolidinobutylcarbamoylamino)-3-(2,3,5,6-tetrafluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C21H24F4N4O4S MolecularWeight: 504.498273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCC3)F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCC3)F)F

InChI

InChI=1S/C21H24F4N4O4S/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)26-6-2-3-7-29-8-4-5-9-29/h2-10H2,1H3,(H,30,31)(H2,26,27,32)