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

Systemtic Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-phenylbutanoate Openeye Name: [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [4-[2-(4-hexylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] ester Formula: C31H33NO2S MolecularWeight: 483.66422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)OC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)OC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C31H33NO2S/c1-2-3-4-6-12-25-15-17-27(18-16-25)31-32-23-29(35-31)26-19-21-28(22-20-26)34-30(33)14-9-13-24-10-7-5-8-11-24/h5,7-8,10-11,15-23H,2-4,6,9,12-14H2,1H3