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

Systemtic Name: 2-(2-acetamidophenyl)sulfanyl-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(2-acetamidophenyl)sulfanyl-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-[(2-acetamidophenyl)thio]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(2-acetamidophenyl)sulfanyl-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-[(2-acetamidophenyl)thio]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C#N

InChI

InChI=1S/C23H27N3O2S2/c1-14(27)25-18-7-5-6-8-19(18)29-13-21(28)26-22-17(12-24)16-10-9-15(23(2,3)4)11-20(16)30-22/h5-8,15H,9-11,13H2,1-4H3,(H,25,27)(H,26,28)/t15-/m1/s1