5-(heptylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(heptylamino)thiophene-2-carboxylic acid Openeye Name: 5-(heptylamino)thiophene-2-carboxylic acid CAS Name: 5-(heptylamino)-2-thiophenecarboxylic acid IUPAC Name: 5-(heptylamino)thiophene-2-carboxylic acid Traditional Name: 5-(heptylamino)-2-thenoic acid Formula: C12H19NO2S MolecularWeight: 241.34976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCNC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C12H19NO2S/c1-2-3-4-5-6-9-13-11-8-7-10(16-11)12(14)15/h7-8,13H,2-6,9H2,1H3,(H,14,15)