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

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxy-benzamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethoxy-benzamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxybenzamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethoxybenzamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethoxy-benzamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C#N

InChI

InChI=1S/C22H26N2O2S/c1-5-26-18-9-7-6-8-16(18)20(25)24-21-17(13-23)15-11-10-14(22(2,3)4)12-19(15)27-21/h6-9,14H,5,10-12H2,1-4H3,(H,24,25)/t14-/m1/s1