2-(2-thiophen-3-ylazepan-1-yl)ethanoic acid

Systemtic Name: 2-(2-thiophen-3-ylazepan-1-yl)ethanoic acid Openeye Name: 2-[2-(3-thienyl)azepan-1-yl]acetic acid CAS Name: 2-[2-(3-thiophenyl)-1-azepanyl]acetic acid IUPAC Name: 2-(2-thiophen-3-ylazepan-1-yl)acetic acid Traditional Name: 2-[2-(3-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=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c14-12(15)8-13-6-3-1-2-4-11(13)10-5-7-16-9-10/h5,7,9,11H,1-4,6,8H2,(H,14,15)