[4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate

Systemtic Name: [4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate Openeye Name: [4-[5-(4-hexylphenyl)thiazol-2-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[5-(4-hexylphenyl)-2-thiazolyl]phenyl] ester IUPAC Name: [4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[5-(4-hexylphenyl)thiazol-2-yl]phenyl] ester Formula: C28H35NO2S MolecularWeight: 449.648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCC

InChI

InChI=1S/C28H35NO2S/c1-3-5-7-9-11-22-13-15-23(16-14-22)26-21-29-28(32-26)24-17-19-25(20-18-24)31-27(30)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3