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

Systemtic Name: ethyl 4-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-(methylthio)-3-pyridinyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(methylthio)nicotinoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-3-23-16(22)19-9-7-18(8-10-19)13(20)11-24-15(21)12-5-4-6-17-14(12)25-2/h4-6H,3,7-11H2,1-2H3