methyl 4-phenyl-1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-(2-thioxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 4-phenyl-1-(2-thioxo-1H-pyridine-3-carbonyl)isonipecotic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC=CNC2=S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC=CNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c1-24-18(23)19(14-6-3-2-4-7-14)9-12-21(13-10-19)17(22)15-8-5-11-20-16(15)25/h2-8,11H,9-10,12-13H2,1H3,(H,20,25)