2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2OS/c1-24(2,3)18-4-5-19-20(14-26)23(29-21(19)9-18)27-22(28)13-25-10-15-6-16(11-25)8-17(7-15)12-25/h15-18H,4-13H2,1-3H3,(H,27,28)/t15?,16?,17?,18-,25?/m0/s1