N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2S/c1-5-25(3,4)17-11-12-18-19(14-26)24(31-20(18)13-17)27-23(29)21-15(2)30-28-22(21)16-9-7-6-8-10-16/h6-10,17H,5,11-13H2,1-4H3,(H,27,29)/t17-/m1/s1