5-[(1-phenylethylamino)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(1-phenylethylamino)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(1-phenylethylamino)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(1-phenylethylamino)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(1-phenylethylamino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(1-phenylethylamino)methyl]-2-thenoic acid Formula: C14H15NO2S MolecularWeight: 261.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(18-12)14(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)