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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C=CCCC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)/C=C/CCC

InChI

InChI=1S/C21H28N2O2S/c1-3-5-7-8-10-11-19-22-23-21(26-19)17-13-15-18(16-14-17)25-20(24)12-9-6-4-2/h9,12-16H,3-8,10-11H2,1-2H3/b12-9+