1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-quinolylthio)ethanone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H22N2O2S/c1-14-12-17(15(2)22(14)10-11-24-3)19(23)13-25-20-9-8-16-6-4-5-7-18(16)21-20/h4-9,12H,10-11,13H2,1-3H3