S-[3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl] ethanethioate Openeye Name: S-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]allyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl] ester IUPAC Name: S-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-[4-(trifluoromethyl)benzyl]allyl] ester Formula: C13H11F3O2S MolecularWeight: 288.28545

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=C=O)CC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=O)SCC(=C=O)CC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C13H11F3O2S/c1-9(18)19-8-11(7-17)6-10-2-4-12(5-3-10)13(14,15)16/h2-5H,6,8H2,1H3