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

Systemtic Name: [4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-hex-2-enoate Openeye Name: [4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl] (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C=CCCC

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)/C=C/CCC

InChI

InChI=1S/C22H30N2O2S/c1-3-5-7-8-9-11-12-20-23-24-22(27-20)18-14-16-19(17-15-18)26-21(25)13-10-6-4-2/h10,13-17H,3-9,11-12H2,1-2H3/b13-10+