5-[1-(azepan-2-yl)ethyl]thiophene-2-carboxylate

Systemtic Name: 5-[1-(azepan-2-yl)ethyl]thiophene-2-carboxylate Openeye Name: 5-[1-(azepan-2-yl)ethyl]thiophene-2-carboxylate CAS Name: 5-[1-(2-azepanyl)ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[1-(azepan-2-yl)ethyl]thiophene-2-carboxylate Traditional Name: 5-[1-(azepan-2-yl)ethyl]-2-thenoate Formula: C13H18NO2S- MolecularWeight: 252.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCN1)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC(C1CCCCCN1)C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C13H19NO2S/c1-9(10-5-3-2-4-8-14-10)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16)/p-1