(2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propan-1-one

Systemtic Name: (2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propan-1-one Formula: C18H17BrO3S MolecularWeight: 393.29478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H17BrO3S/c1-12(18(20)13-3-5-14(19)6-4-13)23-15-7-8-16-17(11-15)22-10-2-9-21-16/h3-8,11-12H,2,9-10H2,1H3/t12-/m1/s1