7-[(5-chloranylthiophen-2-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(5-chloranylthiophen-2-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(5-chlorothiophene-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(5-chlorothiophene-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-chlorothiophene-2-carbonyl)amino]enanthic acid Formula: C12H16ClNO3S MolecularWeight: 289.77834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C12H16ClNO3S/c13-10-7-6-9(18-10)12(17)14-8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,14,17)(H,15,16)