N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H14F3NO4S MolecularWeight: 397.36827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=CC=CC(=C3)C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=CC=CC(=C3)C(F)(F)F)OCO2

InChI

InChI=1S/C18H14F3NO4S/c1-10(23)13-6-15-16(26-9-25-15)7-14(13)22-17(24)8-27-12-4-2-3-11(5-12)18(19,20)21/h2-7H,8-9H2,1H3,(H,22,24)