[4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate

Systemtic Name: [4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Openeye Name: [4-[2-(4-butylphenyl)thiazol-5-yl]phenyl] nonanoate CAS Name: nonanoic acid [4-[2-(4-butylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[2-(4-butylphenyl)thiazol-5-yl]phenyl] ester Formula: C28H35NO2S MolecularWeight: 449.648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)CCCC

InChI

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