methyl (E)-3-fluoranyl-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-fluoranyl-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate CAS Name: (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)thio]-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate Traditional Name: (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)thio]-2-(trifluoromethyl)acrylic acid methyl ester Formula: C19H13F4NO2S MolecularWeight: 395.370633

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(F)SC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)/C(=C(/F)\SC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/C(F)(F)F

InChI

InChI=1S/C19H13F4NO2S/c1-26-18(25)14(19(21,22)23)17(20)27-16-12-9-5-6-10-13(12)24-15(16)11-7-3-2-4-8-11/h2-10,24H,1H3/b17-14+