methyl 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(1-octyl-4-piperidinyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H33N3O2S/c1-3-4-5-6-7-8-15-26-16-13-19(14-17-26)22-25-24-21(29-22)18-9-11-20(12-10-18)23(27)28-2/h9-12,19H,3-8,13-17H2,1-2H3