methyl (E)-3-(4-dimethylaminophenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(4-dimethylaminophenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (E)-3-(4-dimethylaminophenyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate CAS Name: (E)-3-[(4-dimethylaminophenyl)thio]-3-fluoro-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-dimethylaminophenyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate Traditional Name: (E)-3-[(4-dimethylaminophenyl)thio]-3-fluoro-2-(trifluoromethyl)acrylic acid methyl ester Formula: C13H13F4NO2S MolecularWeight: 323.306433

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)SC(=C(C(=O)OC)C(F)(F)F)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)S/C(=C(\C(=O)OC)/C(F)(F)F)/F

InChI

InChI=1S/C13H13F4NO2S/c1-18(2)8-4-6-9(7-5-8)21-11(14)10(12(19)20-3)13(15,16)17/h4-7H,1-3H3/b11-10+