4-[(3-methylthiophen-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(3-methylthiophen-2-yl)methylamino]benzoic acid Openeye Name: 4-[(3-methyl-2-thienyl)methylamino]benzoic acid CAS Name: 4-[(3-methyl-2-thiophenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-methylthiophen-2-yl)methylamino]benzoic acid Traditional Name: 4-[(3-methyl-2-thienyl)methylamino]benzoic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO2S/c1-9-6-7-17-12(9)8-14-11-4-2-10(3-5-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)