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

Systemtic Name: ethyl 1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(4-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-p-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]isonipecotic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-24-16-7-5-14(6-8-16)17-20-22(19(27)26-17)13-21-11-9-15(10-12-21)18(23)25-4-2/h5-8,15H,3-4,9-13H2,1-2H3