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

Systemtic Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] octanoate Openeye Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C23H34N2O2S/c1-3-5-7-9-11-13-21-24-25-23(28-21)19-15-17-20(18-16-19)27-22(26)14-12-10-8-6-4-2/h15-18H,3-14H2,1-2H3