[(1R)-1-cyanoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC2=C(S1)CCC(C2)C(C)(C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC2=C(S1)CC[C@H](C2)C(C)(C)C

InChI

InChI=1S/C16H21NO2S/c1-10(9-17)19-15(18)14-8-11-7-12(16(2,3)4)5-6-13(11)20-14/h8,10,12H,5-7H2,1-4H3/t10-,12-/m1/s1