5-[[(phenylmethyl)amino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(phenylmethyl)amino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(benzylamino)methyl]thiophene-2-carboxylic acid CAS Name: 5-[[(phenylmethyl)amino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(benzylamino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(benzylamino)methyl]-2-thenoic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)12-7-6-11(17-12)9-14-8-10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,15,16)