methyl (E)-3-[(1S,5S)-5-tert-butyl-2-oxidanylidene-cyclohexyl]sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-[(1S,5S)-5-tert-butyl-2-oxidanylidene-cyclohexyl]sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (E)-3-[(1S,5S)-5-tert-butyl-2-oxo-cyclohexyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate CAS Name: (E)-3-[[(1S,5S)-5-tert-butyl-2-oxocyclohexyl]thio]-3-fluoro-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(1S,5S)-5-tert-butyl-2-oxocyclohexyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate Traditional Name: (E)-3-[[(1S,5S)-5-tert-butyl-2-keto-cyclohexyl]thio]-3-fluoro-2-(trifluoromethyl)acrylic acid methyl ester Formula: C15H20F4O3S MolecularWeight: 356.376113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(C1)SC(=C(C(=O)OC)C(F)(F)F)F

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)[C@H](C1)S/C(=C(\C(=O)OC)/C(F)(F)F)/F

InChI

InChI=1S/C15H20F4O3S/c1-14(2,3)8-5-6-9(20)10(7-8)23-12(16)11(13(21)22-4)15(17,18)19/h8,10H,5-7H2,1-4H3/b12-11+/t8-,10-/m0/s1