methyl (Z)-3-(2,3-dimethyl-4-oxidanyl-phenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(2,3-dimethyl-4-oxidanyl-phenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (Z)-3-fluoro-3-(4-hydroxy-2,3-dimethyl-phenyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate CAS Name: (Z)-3-fluoro-3-[(4-hydroxy-2,3-dimethylphenyl)thio]-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-fluoro-3-(4-hydroxy-2,3-dimethylphenyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate Traditional Name: (Z)-3-fluoro-3-[(4-hydroxy-2,3-dimethyl-phenyl)thio]-2-(trifluoromethyl)acrylic acid methyl ester Formula: C13H12F4O3S MolecularWeight: 324.291193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)SC(=C(C(=O)OC)C(F)(F)F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1C)S/C(=C(/C(=O)OC)\C(F)(F)F)/F)O

InChI

InChI=1S/C13H12F4O3S/c1-6-7(2)9(5-4-8(6)18)21-11(14)10(12(19)20-3)13(15,16)17/h4-5,18H,1-3H3/b11-10-