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

Systemtic Name: methyl 4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(1-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-piperidinophenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-26-21(25)17-7-5-15(6-8-17)19-22-23-20(27-19)16-9-11-18(12-10-16)24-13-3-2-4-14-24/h5-12H,2-4,13-14H2,1H3