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

Systemtic Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C30H46N2O2S MolecularWeight: 498.76344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C30H46N2O2S/c1-3-5-7-8-9-10-11-13-15-28-31-32-29(35-28)25-20-22-27(23-21-25)34-30(33)26-18-16-24(17-19-26)14-12-6-4-2/h20-24,26H,3-19H2,1-2H3