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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[(4-oxidanyl-5-piperidin-1-yl-pentyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-[[4-hydroxy-5-(1-piperidyl)pentyl]carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[[[4-hydroxy-5-(1-piperidinyl)pentyl]amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[(4-hydroxy-5-piperidin-1-ylpentyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-[(4-hydroxy-5-piperidino-pentyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C23H31FN4O5S MolecularWeight: 494.579443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O5S/c1-15-7-8-16(18(24)12-15)14-33-20-19(22(30)31)21(34-27-20)26-23(32)25-9-5-6-17(29)13-28-10-3-2-4-11-28/h7-8,12,17,29H,2-6,9-11,13-14H2,1H3,(H,30,31)(H2,25,26,32)