2-(1-adamantylsulfanyl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanone CAS Name: 2-(1-adamantylthio)-1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone Traditional Name: 2-(1-adamantylthio)-1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanone Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33NO2S/c1-15-6-21(16(2)24(15)13-20-4-3-5-26-20)22(25)14-27-23-10-17-7-18(11-23)9-19(8-17)12-23/h6,17-20H,3-5,7-14H2,1-2H3/t17?,18?,19?,20-,23?/m1/s1