ethyl (3S)-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C16H20N4O3S/c1-2-22-15(21)13-6-4-8-19(10-13)11-20-16(24)23-14(18-20)12-5-3-7-17-9-12/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3/t13-/m0/s1