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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)O2)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)O2)CN3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-24-16-10-6-5-9-15(16)17-20-22(19(27)26-17)13-21-11-7-8-14(12-21)18(23)25-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1