tert-butyl 4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[2-(methylthio)nicotinoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H23N3O3S/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-6-5-7-17-13(12)23-4/h5-7H,8-11H2,1-4H3