ethyl 8-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-(trifluoromethyl)phenyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[3-(trifluoromethyl)phenyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C19H17F3O4S MolecularWeight: 398.39609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=CC=CC(=C3)C(F)(F)F)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=CC=CC(=C3)C(F)(F)F)OCOC2

InChI

InChI=1S/C19H17F3O4S/c1-2-25-18(23)12-6-13-9-24-11-26-17(13)14(7-12)10-27-16-5-3-4-15(8-16)19(20,21)22/h3-8H,2,9-11H2,1H3