2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-(2-methoxyethyl)acetamide Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)CSCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C20H22FNO4S/c1-24-8-7-22-18(23)13-27-12-16-10-17(21)9-15-11-25-20(26-19(15)16)14-5-3-2-4-6-14/h2-6,9-10,20H,7-8,11-13H2,1H3,(H,22,23)/t20-/m0/s1