3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[(2-methyl-3-piperidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[(2-methyl-3-piperidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-[[2-methyl-3-(1-piperidyl)propyl]carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[[[2-methyl-3-(1-piperidinyl)propyl]amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[(2-methyl-3-piperidin-1-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-[(2-methyl-3-piperidino-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C22H29FN4O4S MolecularWeight: 464.553463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)CN3CCCCC3)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)CN3CCCCC3)F

InChI

InChI=1S/C22H29FN4O4S/c1-14-6-7-16(17(23)10-14)13-31-19-18(21(28)29)20(32-26-19)25-22(30)24-11-15(2)12-27-8-4-3-5-9-27/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,28,29)(H2,24,25,30)