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

Systemtic Name: methyl 4-[5-[4-(4-cyclohexyloxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-[4-(cyclohexoxy)-1-piperidyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-cyclohexyloxy-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(4-cyclohexyloxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-[4-(cyclohexoxy)piperidino]phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCC(CC4)OC5CCCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCC(CC4)OC5CCCCC5

InChI

InChI=1S/C27H31N3O3S/c1-32-27(31)21-9-7-19(8-10-21)25-28-29-26(34-25)20-11-13-22(14-12-20)30-17-15-24(16-18-30)33-23-5-3-2-4-6-23/h7-14,23-24H,2-6,15-18H2,1H3