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

Systemtic Name: (6R)-6-tert-butyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-6-tert-butyl-2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-6-tert-butyl-2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-6-tert-butyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-6-tert-butyl-2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-5-6-7-14(20)19-16-15(17(21)22)12-9-8-11(18(2,3)4)10-13(12)23-16/h11H,5-10H2,1-4H3,(H,19,20)(H,21,22)/t11-/m1/s1