ethyl (6R)-6-(2-methylbutan-2-yl)-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-(2-methylbutan-2-yl)-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-(1,1-dimethylpropyl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-(2-methylbutan-2-yl)-2-[[oxo(2-pyrazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-amyl-2-(pyrazinoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H27N3O3S/c1-5-21(3,4)13-7-8-14-16(11-13)28-19(17(14)20(26)27-6-2)24-18(25)15-12-22-9-10-23-15/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)/t13-/m1/s1