2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-[(1S)-1-methylbutyl]acetamide Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSCC1=CC2=C(C=C1Br)OCCO2

Isomeric SMILES

CCC[C@H](C)NC(=O)CSCC1=CC2=C(C=C1Br)OCCO2

InChI

InChI=1S/C16H22BrNO3S/c1-3-4-11(2)18-16(19)10-22-9-12-7-14-15(8-13(12)17)21-6-5-20-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1