ethyl 4-[2-(2-phenylsulfanylpyridin-3-yl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-phenylsulfanylpyridin-3-yl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-phenylsulfanylpyridine-3-carbonyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[oxo-[2-(phenylthio)-3-pyridinyl]methoxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-phenylsulfanylpyridine-3-carbonyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(phenylthio)nicotinoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-2-28-21(27)24-13-11-23(12-14-24)18(25)15-29-20(26)17-9-6-10-22-19(17)30-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3