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

Systemtic Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] pentanoate Openeye Name: [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] pentanoate CAS Name: pentanoic acid [4-[2-(4-hexylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] ester Formula: C26H31NO2S MolecularWeight: 421.59484

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2S/c1-3-5-7-8-9-20-11-13-22(14-12-20)26-27-19-24(30-26)21-15-17-23(18-16-21)29-25(28)10-6-4-2/h11-19H,3-10H2,1-2H3