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

Systemtic Name: ethyl 1-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O5S/c1-2-23-17(22)12-5-7-20(8-6-12)10-21-18(27)26-16(19-21)13-3-4-14-15(9-13)25-11-24-14/h3-4,9,12H,2,5-8,10-11H2,1H3