2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C22H25BrN2O2S/c1-13-5-7-15-16(11-24)21(28-19(15)9-13)25-20(26)12-27-18-8-6-14(23)10-17(18)22(2,3)4/h6,8,10,13H,5,7,9,12H2,1-4H3,(H,25,26)