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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3S/c1-3-19(4-2)24-20(25)14-28-13-17-11-18(23)10-16-12-26-22(27-21(16)17)15-8-6-5-7-9-15/h5-11,19,22H,3-4,12-14H2,1-2H3,(H,24,25)/t22-/m0/s1