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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(1-adamantylthio)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-15-16(2)26(5-4-6-28-3)22(20(15)13-24)25-21(27)14-29-23-10-17-7-18(11-23)9-19(8-17)12-23/h17-19H,4-12,14H2,1-3H3,(H,25,27)