2-methyl-3-[(2-methyl-1-thiophen-2-yl-propyl)amino]benzoic acid

Systemtic Name: 2-methyl-3-[(2-methyl-1-thiophen-2-yl-propyl)amino]benzoic acid Openeye Name: 2-methyl-3-[[2-methyl-1-(2-thienyl)propyl]amino]benzoic acid CAS Name: 2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoic acid IUPAC Name: 2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoic acid Traditional Name: 2-methyl-3-[[2-methyl-1-(2-thienyl)propyl]amino]benzoic acid Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(C2=CC=CS2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(C2=CC=CS2)C(C)C)C(=O)O

InChI

InChI=1S/C16H19NO2S/c1-10(2)15(14-8-5-9-20-14)17-13-7-4-6-12(11(13)3)16(18)19/h4-10,15,17H,1-3H3,(H,18,19)