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

Systemtic Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C18H23N3O5S/c1-23-13-4-5-14(15(10-13)24-2)16-19-21(18(27)26-16)11-20-8-6-12(7-9-20)17(22)25-3/h4-5,10,12H,6-9,11H2,1-3H3