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

Systemtic Name: 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]butanoic acid Openeye Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 2-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]butyric acid Formula: C13H11Cl2NO3S MolecularWeight: 332.20234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H11Cl2NO3S/c1-2-8(13(18)19)16-12(17)11-10(15)7-4-3-6(14)5-9(7)20-11/h3-5,8H,2H2,1H3,(H,16,17)(H,18,19)