(6-chloranylpyridin-3-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (6-chloro-3-pyridyl)methyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CN=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CN=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C23H21ClN2O3S/c1-15-4-7-17(8-5-15)26-21(27)11-9-18(22(26)19-3-2-12-30-19)23(28)29-14-16-6-10-20(24)25-13-16/h2-8,10,12-13,18,22H,9,11,14H2,1H3