2-[[6-(azepan-1-ylcarbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(azepan-1-ylcarbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(azepane-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[1-azepanyl(oxo)methyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(azepane-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(azepane-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O

InChI

InChI=1S/C22H26N2O3S/c25-20(26)14-28-21-16-7-3-4-8-18(16)23-19-13-15(9-10-17(19)21)22(27)24-11-5-1-2-6-12-24/h9-10,13H,1-8,11-12,14H2,(H,25,26)