ethyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate CAS Name: 4-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4

InChI

InChI=1S/C22H29N3O2S/c1-2-27-22(26)19-9-7-18(8-10-19)21-25-24-20(28-21)17-5-3-15(4-6-17)16-11-13-23-14-12-16/h3-6,16,18-19,23H,2,7-14H2,1H3