ethyl 3-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]propanoate Openeye Name: ethyl 3-[4-(3-benzyloxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[4-[(3-phenylmethoxyphenyl)thio]-2-(trifluoromethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[4-[(3-benzoxyphenyl)thio]-2-(trifluoromethyl)phenyl]propionic acid ethyl ester Formula: C25H23F3O3S MolecularWeight: 460.50853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C25H23F3O3S/c1-2-30-24(29)14-12-19-11-13-22(16-23(19)25(26,27)28)32-21-10-6-9-20(15-21)31-17-18-7-4-3-5-8-18/h3-11,13,15-16H,2,12,14,17H2,1H3