3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]propionic acid Formula: C12H9Cl2NO3S MolecularWeight: 318.17576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H9Cl2NO3S/c13-6-1-2-7-8(5-6)19-11(10(7)14)12(18)15-4-3-9(16)17/h1-2,5H,3-4H2,(H,15,18)(H,16,17)