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

Systemtic Name: ethyl 1-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H23N3O5S/c1-2-24-18(23)13-7-9-21(10-8-13)12-22-19(28)27-17(20-22)16-11-25-14-5-3-4-6-15(14)26-16/h3-6,13,16H,2,7-12H2,1H3