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

Systemtic Name: (6S)-6-tert-butyl-2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-tert-butyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[oxo(pyridin-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-tert-butyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-isonicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H21N2O3S- MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-19(2,3)12-4-5-13-14(10-12)25-17(15(13)18(23)24)21-16(22)11-6-8-20-9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,21,22)(H,23,24)/p-1/t12-/m0/s1