methyl 5-[(3-oxidanyl-5-pyrrolidin-1-yl-pentyl)carbamoylamino]-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 5-[(3-oxidanyl-5-pyrrolidin-1-yl-pentyl)carbamoylamino]-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylate Openeye Name: methyl 5-[(3-hydroxy-5-pyrrolidin-1-yl-pentyl)carbamoylamino]-3-[(2,3,6-trifluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylate CAS Name: 5-[[[[3-hydroxy-5-(1-pyrrolidinyl)pentyl]amino]-oxomethyl]amino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-hydroxy-5-pyrrolidin-1-ylpentyl)carbamoylamino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylate Traditional Name: 5-[(3-hydroxy-5-pyrrolidino-pentyl)carbamoylamino]-3-(2,3,6-trifluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid methyl ester Formula: C23H29F3N4O5S MolecularWeight: 530.56037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)OC)NC(=O)NCCC(CCN3CCCC3)O)F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)OC)NC(=O)NCCC(CCN3CCCC3)O)F

InChI

InChI=1S/C23H29F3N4O5S/c1-13-11-16(24)15(19(26)18(13)25)12-35-20-17(22(32)34-2)21(36-29-20)28-23(33)27-7-5-14(31)6-10-30-8-3-4-9-30/h11,14,31H,3-10,12H2,1-2H3,(H2,27,28,33)