2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(1S)-1-methylbutyl]acetamide Formula: C17H24ClNO3S MolecularWeight: 357.89536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CCC[C@H](C)NC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C17H24ClNO3S/c1-3-5-12(2)19-16(20)11-23-10-13-8-14(18)17-15(9-13)21-6-4-7-22-17/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,20)/t12-/m0/s1