1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O3S/c1-19-14-25(20(2)31(19)17-23-10-7-13-34-23)28(32)18-35-29-16-26(21-8-5-4-6-9-21)24-12-11-22(33-3)15-27(24)30-29/h4-6,8-9,11-12,14-16,23H,7,10,13,17-18H2,1-3H3