2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H25NO3S/c1-13(2)21-14(3)10-17(15(21)4)18(22)12-25-16-6-7-19-20(11-16)24-9-5-8-23-19/h6-7,10-11,13H,5,8-9,12H2,1-4H3