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

Systemtic Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-hept-2-enoate Openeye Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic 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)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S/c1-3-5-6-7-9-23(27)28-21-16-14-19(15-17-21)18-10-12-20(13-11-18)24-26-25-22(29-24)8-4-2/h7,9-17H,3-6,8H2,1-2H3/b9-7+