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

Systemtic Name: (6S)-6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-tert-butyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-tert-butyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C[C@H](CC2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-5-12(18)17-14-13(15(19)20)10-7-6-9(16(2,3)4)8-11(10)21-14/h9H,5-8H2,1-4H3,(H,17,18)(H,19,20)/t9-/m0/s1