4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate

Systemtic Name: 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate Openeye Name: 4-(4-benzyloxyphenyl)-3-[4-(trifluoromethyl)thiazol-2-yl]butanoate CAS Name: 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-2-thiazolyl]butanoate IUPAC Name: 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate Traditional Name: 4-(4-benzoxyphenyl)-3-[4-(trifluoromethyl)thiazol-2-yl]butyrate Formula: C21H17F3NO3S- MolecularWeight: 420.42479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CC(=O)[O-])C3=NC(=CS3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CC(=O)[O-])C3=NC(=CS3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO3S/c22-21(23,24)18-13-29-20(25-18)16(11-19(26)27)10-14-6-8-17(9-7-14)28-12-15-4-2-1-3-5-15/h1-9,13,16H,10-12H2,(H,26,27)/p-1