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

Systemtic Name: (6S)-6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-tert-butyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-tert-butyl-2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-19(2,3)12-6-7-13-14(9-12)25-17(15(13)18(23)24)21-16(22)11-5-4-8-20-10-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,21,22)(H,23,24)/t12-/m0/s1