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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(4-pyrrolidinobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C21H27FN4O4S MolecularWeight: 450.526883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCC3)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCC3)F

InChI

InChI=1S/C21H27FN4O4S/c1-14-6-7-15(16(22)12-14)13-30-18-17(20(27)28)19(31-25-18)24-21(29)23-8-2-3-9-26-10-4-5-11-26/h6-7,12H,2-5,8-11,13H2,1H3,(H,27,28)(H2,23,24,29)