ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(1,2,3,4-tetrahydroacridin-9-ylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,2,3,4-tetrahydroacridin-9-ylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C3CCCCC3=NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C22H27N3O3S/c1-2-28-22(27)25-13-11-24(12-14-25)20(26)15-29-21-16-7-3-5-9-18(16)23-19-10-6-4-8-17(19)21/h3,5,7,9H,2,4,6,8,10-15H2,1H3