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

Systemtic Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethoxy-benzamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H28N2O3S/c1-6-23(2,3)15-7-8-18-19(13-24)22(29-20(18)11-15)25-21(26)14-9-16(27-4)12-17(10-14)28-5/h9-10,12,15H,6-8,11H2,1-5H3,(H,25,26)/t15-/m1/s1