ethyl 4-[3-(2-pyridin-4-ylethylsulfanyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(2-pyridin-4-ylethylsulfanyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[2-(4-pyridyl)ethylsulfanyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(2-pyridin-4-ylethylthio)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-pyridin-4-ylethylsulfanyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-(4-pyridyl)ethylthio]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCSCCC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCSCCC2=CC=NC=C2

InChI

InChI=1S/C17H25N3O3S/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)6-14-24-13-5-15-3-7-18-8-4-15/h3-4,7-8H,2,5-6,9-14H2,1H3