[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-(4-carbomethoxypiperidino)-2-keto-ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-15-6-7-16(2)19(13-15)31-21-18(5-4-10-24-21)23(28)30-14-20(26)25-11-8-17(9-12-25)22(27)29-3/h4-7,10,13,17H,8-9,11-12,14H2,1-3H3