5-[[(4-chlorophenyl)methylamino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(4-chlorophenyl)methylamino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(4-chlorophenyl)methylamino]methyl]thiophene-2-carboxylic acid CAS Name: 5-[[(4-chlorophenyl)methylamino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(4-chlorophenyl)methylamino]methyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(4-chlorobenzyl)amino]methyl]-2-thenoic acid Formula: C13H12ClNO2S MolecularWeight: 281.75788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CC=C(S2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CC=C(S2)C(=O)O)Cl

InChI

InChI=1S/C13H12ClNO2S/c14-10-3-1-9(2-4-10)7-15-8-11-5-6-12(18-11)13(16)17/h1-6,15H,7-8H2,(H,16,17)