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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(1R)-1-phenylethyl]acetamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO3S/c1-14(16-6-3-2-4-7-16)22-19(23)13-26-12-15-10-17(21)20-18(11-15)24-8-5-9-25-20/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,22,23)/t14-/m1/s1