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

Systemtic Name: [4-(5-octyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate Openeye Name: [4-(5-octylthiazol-2-yl)phenyl] (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [4-(5-octyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [4-(5-octylthiazol-2-yl)phenyl] ester Formula: C23H31NO2S MolecularWeight: 385.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO2S/c1-3-5-7-8-9-11-12-21-18-24-23(27-21)19-14-16-20(17-15-19)26-22(25)13-10-6-4-2/h10,13-18H,3-9,11-12H2,1-2H3/b13-10+