methyl (Z)-3-fluoranyl-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-fluoranyl-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (Z)-3-fluoro-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate CAS Name: (Z)-3-fluoro-3-(1H-indol-3-ylthio)-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-fluoro-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate Traditional Name: (Z)-3-fluoro-3-(1H-indol-3-ylthio)-2-(trifluoromethyl)acrylic acid methyl ester Formula: C13H9F4NO2S MolecularWeight: 319.274673

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(F)SC1=CNC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

COC(=O)/C(=C(\F)/SC1=CNC2=CC=CC=C21)/C(F)(F)F

InChI

InChI=1S/C13H9F4NO2S/c1-20-12(19)10(13(15,16)17)11(14)21-9-6-18-8-5-3-2-4-7(8)9/h2-6,18H,1H3/b11-10-