3-[[2,6-bis(chloranyl)phenyl]methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2,6-dichlorophenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2,6-dichlorophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2,6-dichlorophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2,6-dichlorobenzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H13Cl2NO2S MolecularWeight: 330.22952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNC(CC(=O)O)C2=CC=CS2)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNC(CC(=O)O)C2=CC=CS2)Cl

InChI

InChI=1S/C14H13Cl2NO2S/c15-10-3-1-4-11(16)9(10)8-17-12(7-14(18)19)13-5-2-6-20-13/h1-6,12,17H,7-8H2,(H,18,19)