methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoate Traditional Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzoic acid methyl ester Formula: C19H20F3NO3S MolecularWeight: 399.42721

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C19H20F3NO3S/c1-23(2)10-11-27-15-7-5-14(6-8-15)26-17-9-4-13(18(24)25-3)12-16(17)19(20,21)22/h4-9,12H,10-11H2,1-3H3