S-[[3-(trifluoromethyl)phenyl]methyl] (E)-3-(2-hydroxyphenyl)prop-2-enethioate

Systemtic Name: S-[[3-(trifluoromethyl)phenyl]methyl] (E)-3-(2-hydroxyphenyl)prop-2-enethioate Openeye Name: S-[[3-(trifluoromethyl)phenyl]methyl] (E)-3-(2-hydroxyphenyl)prop-2-enethioate CAS Name: (E)-3-(2-hydroxyphenyl)-2-propenethioic acid S-[[3-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: S-[[3-(trifluoromethyl)phenyl]methyl] (E)-3-(2-hydroxyphenyl)prop-2-enethioate Traditional Name: (E)-3-(2-hydroxyphenyl)prop-2-enethioic acid S-[3-(trifluoromethyl)benzyl] ester Formula: C17H13F3O2S MolecularWeight: 338.34413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)SCC2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)SCC2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C17H13F3O2S/c18-17(19,20)14-6-3-4-12(10-14)11-23-16(22)9-8-13-5-1-2-7-15(13)21/h1-10,21H,11H2/b9-8+