5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2-chloro-benzoic acid CAS Name: 5-[1-(3-bromo-2-thiophenyl)ethylamino]-2-chlorobenzoic acid IUPAC Name: 5-[1-(3-bromothiophen-2-yl)ethylamino]-2-chlorobenzoic acid Traditional Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2-chloro-benzoic acid Formula: C13H11BrClNO2S MolecularWeight: 360.65394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)Br)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C1=C(C=CS1)Br)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H11BrClNO2S/c1-7(12-10(14)4-5-19-12)16-8-2-3-11(15)9(6-8)13(17)18/h2-7,16H,1H3,(H,17,18)