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

Systemtic Name: (6R)-6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-6-methyl-2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-6-methyl-2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-3-4-5-12(17)16-14-13(15(18)19)10-7-6-9(2)8-11(10)20-14/h9H,3-8H2,1-2H3,(H,16,17)(H,18,19)/t9-/m1/s1