[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(4-carbomethoxypiperidino)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-27-20(25)15-9-12-23(13-10-15)18(24)14-28-21(26)17-8-5-11-22-19(17)29-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3