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

Systemtic Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-5-carboxamide Openeye Name: N-[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-5-carboxamide CAS Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-isoxazolecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-5-carboxamide Traditional Name: N-[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-5-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=NO3

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=NO3

InChI

InChI=1S/C18H21N3O2S/c1-4-18(2,3)11-5-6-12-13(10-19)17(24-15(12)9-11)21-16(22)14-7-8-20-23-14/h7-8,11H,4-6,9H2,1-3H3,(H,21,22)/t11-/m1/s1