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

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-[(1S)-1-methylbutyl]acetamide Formula: C22H26FNO3S MolecularWeight: 403.510143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3S/c1-3-7-15(2)24-20(25)14-28-13-18-11-19(23)10-17-12-26-22(27-21(17)18)16-8-5-4-6-9-16/h4-6,8-11,15,22H,3,7,12-14H2,1-2H3,(H,24,25)/t15-,22-/m0/s1