methyl (6R)-6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-20(2,3)13-7-8-14-15(10-13)26-18(16(14)19(24)25-4)22-17(23)12-6-5-9-21-11-12/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,22,23)/t13-/m1/s1