N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxy-benzamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxy-benzamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethoxy-benzamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxybenzamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxybenzamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-ethoxy-benzamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3OCC

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3OCC

InChI

InChI=1S/C23H28N2O2S/c1-5-23(3,4)15-11-12-16-18(14-24)22(28-20(16)13-15)25-21(26)17-9-7-8-10-19(17)27-6-2/h7-10,15H,5-6,11-13H2,1-4H3,(H,25,26)