2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(hexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(1-oxohexylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(caproylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-2-3-4-9-12(17)16-14-13(15(18)19)10-7-5-6-8-11(10)20-14/h2-9H2,1H3,(H,16,17)(H,18,19)