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

Systemtic Name: [4-[4-(5-pentyl-1,3-thiazol-2-yl)phenyl]phenyl] (E)-hept-2-enoate Openeye Name: [4-[4-(5-pentylthiazol-2-yl)phenyl]phenyl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid [4-[4-(5-pentyl-2-thiazolyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pentyl-1,3-thiazol-2-yl)phenyl]phenyl] (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [4-[4-(5-amylthiazol-2-yl)phenyl]phenyl] ester Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CCCCC

Isomeric SMILES

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/CCCC

InChI

InChI=1S/C27H31NO2S/c1-3-5-7-9-11-26(29)30-24-18-16-22(17-19-24)21-12-14-23(15-13-21)27-28-20-25(31-27)10-8-6-4-2/h9,11-20H,3-8,10H2,1-2H3/b11-9+