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

Systemtic Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate Openeye Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S/c1-3-5-6-7-8-10-24(28)29-22-17-15-20(16-18-22)19-11-13-21(14-12-19)25-27-26-23(30-25)9-4-2/h8,10-18H,3-7,9H2,1-2H3/b10-8+