ethyl 8-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C18H16F3NO4S MolecularWeight: 399.38415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO4S/c1-2-25-17(23)11-5-12-8-24-10-26-16(12)13(6-11)9-27-15-4-3-14(7-22-15)18(19,20)21/h3-7H,2,8-10H2,1H3