2-(1-adamantylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide CAS Name: 2-(1-adamantylthio)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC23CC4CC(C2)CC(C4)C3)CC5CCCO5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC23CC4CC(C2)CC(C4)C3)C[C@H]5CCCO5)C

InChI

InChI=1S/C24H33N3O2S/c1-15-16(2)27(13-20-4-3-5-29-20)23(21(15)12-25)26-22(28)14-30-24-9-17-6-18(10-24)8-19(7-17)11-24/h17-20H,3-11,13-14H2,1-2H3,(H,26,28)/t17?,18?,19?,20-,24?/m1/s1