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

Systemtic Name: [4-(5-heptyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate Openeye Name: [4-(5-heptylthiazol-2-yl)phenyl] (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [4-(5-heptyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [4-(5-heptylthiazol-2-yl)phenyl] ester Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2S/c1-3-5-7-8-10-11-20-17-23-22(26-20)18-13-15-19(16-14-18)25-21(24)12-9-6-4-2/h9,12-17H,3-8,10-11H2,1-2H3/b12-9+