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

Systemtic Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] heptanoate Openeye Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S/c1-3-5-7-9-10-12-20-23-24-22(27-20)18-14-16-19(17-15-18)26-21(25)13-11-8-6-4-2/h14-17H,3-13H2,1-2H3