2-[3-(azepan-1-yl)quinoxalin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(1-azepanyl)-2-quinoxalinyl]thio]acetic acid IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]thio]acetic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C16H19N3O2S/c20-14(21)11-22-16-15(19-9-5-1-2-6-10-19)17-12-7-3-4-8-13(12)18-16/h3-4,7-8H,1-2,5-6,9-11H2,(H,20,21)