2-azanyl-5-heptyl-thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-5-heptyl-thiophene-3-carboxylic acid Openeye Name: 2-amino-5-heptyl-thiophene-3-carboxylic acid CAS Name: 2-amino-5-heptyl-3-thiophenecarboxylic acid IUPAC Name: 2-amino-5-heptylthiophene-3-carboxylic acid Traditional Name: 2-amino-5-heptyl-3-thenoic acid Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(S1)N)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(S1)N)C(=O)O

InChI

InChI=1S/C12H19NO2S/c1-2-3-4-5-6-7-9-8-10(12(14)15)11(13)16-9/h8H,2-7,13H2,1H3,(H,14,15)