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

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4COC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4COC5=CC=CC=C5O4)C

InChI

InChI=1S/C27H26N2O3S/c1-17-12-27(28-23-9-5-4-8-21(17)23)33-16-24(30)22-13-18(2)29(19(22)3)14-20-15-31-25-10-6-7-11-26(25)32-20/h4-13,20H,14-16H2,1-3H3