ethyl 4-[6-methyl-2-[1-(4-methylsulfanyl-2-oxidanyl-butanoyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-(4-methylsulfanyl-2-oxidanyl-butanoyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-hydroxy-4-methylsulfanyl-butanoyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[2-hydroxy-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-hydroxy-4-methylsulfanylbutanoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-hydroxy-4-(methylthio)butanoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H36N4O5S MolecularWeight: 492.63144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C(CCSC)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C(CCSC)O

InChI

InChI=1S/C24H36N4O5S/c1-4-33-24(32)28-14-12-27(13-15-28)22(30)19-6-5-17(2)25-21(19)18-7-10-26(11-8-18)23(31)20(29)9-16-34-3/h5-6,18,20,29H,4,7-16H2,1-3H3