[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-oct-2-enoate

Systemtic Name: [4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-oct-2-enoate Openeye Name: [4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [4-(5-amyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C21H28N2O2S MolecularWeight: 372.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(=O)OC1=CC=C(C=C1)C2=NN=C(S2)CCCCC

Isomeric SMILES

CCCCC/C=C/C(=O)OC1=CC=C(C=C1)C2=NN=C(S2)CCCCC

InChI

InChI=1S/C21H28N2O2S/c1-3-5-7-8-10-12-20(24)25-18-15-13-17(14-16-18)21-23-22-19(26-21)11-9-6-4-2/h10,12-16H,3-9,11H2,1-2H3/b12-10+