methyl 4-[5-(6-piperidin-1-ylpyridin-3-yl)-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(6-piperidin-1-ylpyridin-3-yl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[6-(1-piperidyl)-3-pyridyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[6-(1-piperidinyl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(6-piperidin-1-ylpyridin-3-yl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(6-piperidino-3-pyridyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CN=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CN=C(C=C3)N4CCCCC4

InChI

InChI=1S/C20H20N4O2S/c1-26-20(25)15-7-5-14(6-8-15)18-22-23-19(27-18)16-9-10-17(21-13-16)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3