ethyl 4-(2-quinolin-2-ylsulfanylethanoyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-quinolin-2-ylsulfanylethanoyl)piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-quinolylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(2-quinolinylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-quinolin-2-ylsulfanylacetyl)piperazine-1-carboxylate Traditional Name: 4-[2-(2-quinolylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H21N3O3S/c1-2-24-18(23)21-11-9-20(10-12-21)17(22)13-25-16-8-7-14-5-3-4-6-15(14)19-16/h3-8H,2,9-13H2,1H3