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

Systemtic Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-quinolylthio)ethanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H24N2O2S/c1-14-11-18(16(3)23(14)15(2)12-25-4)20(24)13-26-21-10-9-17-7-5-6-8-19(17)22-21/h5-11,15H,12-13H2,1-4H3