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

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C

InChI

InChI=1S/C23H26N2O2S/c1-15-11-23(24-21-9-5-4-8-19(15)21)28-14-22(26)20-12-16(2)25(17(20)3)13-18-7-6-10-27-18/h4-5,8-9,11-12,18H,6-7,10,13-14H2,1-3H3