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

Systemtic Name: (6S)-6-tert-butyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-tert-butyl-2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)14-9-10-15-16(12-14)26-19(18(15)20(24)25)22-17(23)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,22,23)(H,24,25)/t14-/m0/s1