1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(phenylthio)ethanone IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-phenylsulfanylethanone Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(phenylthio)ethanone Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H23NO3S/c1-16-12-20(21(25)15-28-19-8-4-3-5-9-19)17(2)24(16)13-18-14-26-22-10-6-7-11-23(22)27-18/h3-12,18H,13-15H2,1-2H3