ethyl 3-(4-fluorophenyl)-3-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-3-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-3-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]propanoate CAS Name: 3-(4-fluorophenyl)-3-[1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-3-[1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]propionic acid ethyl ester Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC=CNC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC=CNC2=S)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3S/c1-2-28-20(26)14-19(15-5-7-17(23)8-6-15)16-9-12-25(13-10-16)22(27)18-4-3-11-24-21(18)29/h3-8,11,16,19H,2,9-10,12-14H2,1H3,(H,24,29)