(6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-benzamido-6-tert-butyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)15-9-10-16-17(13-15)28-21(18(16)20(27)23-11-12-25)24-19(26)14-7-5-4-6-8-14/h4-8,15,25H,9-13H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1