2-(1-adamantylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1-adamantylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1-adamantylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33NO3S/c1-27-19-5-6-22(28-2)20(11-19)21-4-3-7-25(21)23(26)15-29-24-12-16-8-17(13-24)10-18(9-16)14-24/h5-6,11,16-18,21H,3-4,7-10,12-15H2,1-2H3/t16?,17?,18?,21-,24?/m1/s1