2-(1-adamantylsulfanyl)-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1-adamantylthio)-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1-adamantylthio)-1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1[C@@H](C)COC)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33NO2S/c1-14-5-20(16(3)23(14)15(2)12-25-4)21(24)13-26-22-9-17-6-18(10-22)8-19(7-17)11-22/h5,15,17-19H,6-13H2,1-4H3/t15-,17?,18?,19?,22?/m0/s1