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

Systemtic Name: [4-(5-pentyl-1,3-thiazol-2-yl)phenyl] (E)-hept-2-enoate Openeye Name: [4-(5-pentylthiazol-2-yl)phenyl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid [4-(5-pentyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(5-pentyl-1,3-thiazol-2-yl)phenyl] (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [4-(5-amylthiazol-2-yl)phenyl] ester Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)OC(=O)C=CCCCC

Isomeric SMILES

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)OC(=O)/C=C/CCCC

InChI

InChI=1S/C21H27NO2S/c1-3-5-7-9-11-20(23)24-18-14-12-17(13-15-18)21-22-16-19(25-21)10-8-6-4-2/h9,11-16H,3-8,10H2,1-2H3/b11-9+