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

Systemtic Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-methylpentanoate Openeye Name: [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [4-[2-(4-hexylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] ester Formula: C27H33NO2S MolecularWeight: 435.62142

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2S/c1-4-5-6-7-8-21-10-12-23(13-11-21)27-28-19-25(31-27)22-14-16-24(17-15-22)30-26(29)18-9-20(2)3/h10-17,19-20H,4-9,18H2,1-3H3