4-oxidanylidene-4-[[4-[[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methoxy]phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-[[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methoxy]phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-[[5-phenyl-4-(trifluoromethyl)thiazol-2-yl]methoxy]anilino]butanoic acid CAS Name: 4-oxo-4-[4-[[5-phenyl-4-(trifluoromethyl)-2-thiazolyl]methoxy]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-[[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methoxy]anilino]butanoic acid Traditional Name: 4-keto-4-[4-[[5-phenyl-4-(trifluoromethyl)thiazol-2-yl]methoxy]anilino]butyric acid Formula: C21H17F3N2O4S MolecularWeight: 450.43089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(S2)COC3=CC=C(C=C3)NC(=O)CCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(S2)COC3=CC=C(C=C3)NC(=O)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O4S/c22-21(23,24)20-19(13-4-2-1-3-5-13)31-17(26-20)12-30-15-8-6-14(7-9-15)25-16(27)10-11-18(28)29/h1-9H,10-12H2,(H,25,27)(H,28,29)