2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]hexanoic acid Openeye Name: 2-[(3-methylbenzothiophene-2-carbonyl)amino]hexanoic acid CAS Name: 2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]hexanoic acid Traditional Name: 2-[(3-methylbenzothiophene-2-carbonyl)amino]hexanoic acid Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)C

InChI

InChI=1S/C16H19NO3S/c1-3-4-8-12(16(19)20)17-15(18)14-10(2)11-7-5-6-9-13(11)21-14/h5-7,9,12H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)