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

Systemtic Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzoate Traditional Name: 4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-(trifluoromethyl)benzoic acid methyl ester Formula: C20H22F3NO3S MolecularWeight: 413.45379

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C20H22F3NO3S/c1-24(2)10-11-28-13-14-4-7-16(8-5-14)27-18-9-6-15(19(25)26-3)12-17(18)20(21,22)23/h4-9,12H,10-11,13H2,1-3H3