4-[4-[[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]methyl]phenoxy]butanoic acid CAS Name: 4-[4-[[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]-(5-methoxy-2-thiazolo[5,4-b]pyridinyl)amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]methyl]phenoxy]butyric acid Formula: C26H22ClF3N4O5S MolecularWeight: 594.98989

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=C1)N=C(S2)N(CC3=CC=C(C=C3)OCCCC(=O)O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

COC1=NC2=C(C=C1)N=C(S2)N(CC3=CC=C(C=C3)OCCCC(=O)O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C26H22ClF3N4O5S/c1-38-21-11-10-20-23(33-21)40-25(32-20)34(14-15-4-7-17(8-5-15)39-12-2-3-22(35)36)24(37)31-16-6-9-19(27)18(13-16)26(28,29)30/h4-11,13H,2-3,12,14H2,1H3,(H,31,37)(H,35,36)