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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(1S)-1-methylpropyl]acetamide Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3S/c1-3-11(2)18-15(19)10-22-9-12-7-13(17)16-14(8-12)20-5-4-6-21-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1