1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]ethanone Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C)C)C

InChI

InChI=1S/C25H30N2O2S/c1-15-9-17(3)25-21(10-15)16(2)11-24(26-25)30-14-23(28)22-12-18(4)27(19(22)5)13-20-7-6-8-29-20/h9-12,20H,6-8,13-14H2,1-5H3