2-(2-thiophen-2-ylazepan-1-yl)ethanoic acid

Systemtic Name: 2-(2-thiophen-2-ylazepan-1-yl)ethanoic acid Openeye Name: 2-[2-(2-thienyl)azepan-1-yl]acetic acid CAS Name: 2-(2-thiophen-2-yl-1-azepanyl)acetic acid IUPAC Name: 2-(2-thiophen-2-ylazepan-1-yl)acetic acid Traditional Name: 2-[2-(2-thienyl)azepan-1-yl]acetic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)CC(=O)O)C2=CC=CS2

Isomeric SMILES

C1CCC(N(CC1)CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H17NO2S/c14-12(15)9-13-7-3-1-2-5-10(13)11-6-4-8-16-11/h4,6,8,10H,1-3,5,7,9H2,(H,14,15)