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

Systemtic Name: [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate Openeye Name: [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [4-[4-(5-amyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)CCCCC

Isomeric SMILES

CCCCC/C=C/C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)CCCCC

InChI

InChI=1S/C27H32N2O2S/c1-3-5-7-8-10-12-26(30)31-24-19-17-22(18-20-24)21-13-15-23(16-14-21)27-29-28-25(32-27)11-9-6-4-2/h10,12-20H,3-9,11H2,1-2H3/b12-10+