1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(o-tolylthio)ethanone Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25NO3S/c1-16-6-2-3-8-21(16)27-15-22(24)23-11-4-7-18(23)17-9-10-19-20(14-17)26-13-5-12-25-19/h2-3,6,8-10,14,18H,4-5,7,11-13,15H2,1H3