[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C27H40N2O2S MolecularWeight: 456.6837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C27H40N2O2S/c1-3-5-7-8-10-12-25-28-29-26(32-25)22-17-19-24(20-18-22)31-27(30)23-15-13-21(14-16-23)11-9-6-4-2/h17-21,23H,3-16H2,1-2H3