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

Systemtic Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 5-(4-butylcyclohexyl)pentanoate Openeye Name: [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] 5-(4-butylcyclohexyl)pentanoate CAS Name: 5-(4-butylcyclohexyl)pentanoic acid [4-[2-(4-hexylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 5-(4-butylcyclohexyl)pentanoate Traditional Name: 5-(4-butylcyclohexyl)valeric acid [4-[2-(4-hexylphenyl)thiazol-5-yl]phenyl] ester Formula: C36H49NO2S MolecularWeight: 559.84476

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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)CCCCC4CCC(CC4)CCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)OC(=O)CCCCC4CCC(CC4)CCCC

InChI

InChI=1S/C36H49NO2S/c1-3-5-7-8-12-30-19-21-32(22-20-30)36-37-27-34(40-36)31-23-25-33(26-24-31)39-35(38)14-10-9-13-29-17-15-28(16-18-29)11-6-4-2/h19-29H,3-18H2,1-2H3