3-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid Openeye Name: 3-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid CAS Name: 3-[2-(1-azepanyl)ethyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid Traditional Name: 3-[2-(azepan-1-yl)ethyl]-2-thenoic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2=C(SC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C13H19NO2S/c15-13(16)12-11(6-10-17-12)5-9-14-7-3-1-2-4-8-14/h6,10H,1-5,7-9H2,(H,15,16)