1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyridylthio)ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C[C@@H]2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C22H22N2O3S/c1-15-11-18(19(25)14-28-22-9-5-6-10-23-22)16(2)24(15)12-17-13-26-20-7-3-4-8-21(20)27-17/h3-11,17H,12-14H2,1-2H3/t17-/m1/s1