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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-14-10-18(16(3)22(14)15(2)12-24-4)19(23)13-27-17-6-7-20-21(11-17)26-9-5-8-25-20/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3